Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2020-02-26 21:40:51 UTC
HMDB IDHMDB0015050
Secondary Accession Numbers
  • HMDB15050
Metabolite Identification
Common NamePhenformin
DescriptionPhenformin, also known as DBI or beta-pebg, belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines. Phenformin is a drug which is used for the reatment of type ii diabetes mellitus. Phenformin is an antidiabetic drug from the biguanide class. By October 1976, the FDA Endocrinology and Metabolism Advisory Committee recommended phenformin be removed from the market. Phenformin is a very strong basic compound (based on its pKa). Ciba-Geigy Corp resisted, claiming there was no satisfactory alternative for many patients. Phenformin protein binding in plasma is about 12 to 20%. Ralph Nader's Health Research Group put the US government under pressure to ban the drug.
Structure
Data?1582753251
Synonyms
ValueSource
DBIChEBI
FenforminaChEBI
PhenformineChEBI
PhenforminumChEBI
beta-PebgHMDB
beta-PhenethybiguanideHMDB
beta-PhenethylbiguanideHMDB
FenforminHMDB
N-Phenethylbiguanide hydrochlorideHMDB
PEDGHMDB
Phenethylbiguanide hydrochlorideHMDB
PhenethyldiguanideHMDB
Phenformin HCLHMDB
Phenformin hydrochlorideHMDB
Phenformine HCLHMDB
Phenoformine hydrochlorideHMDB
PhenylethylbiguanideHMDB
Chemical FormulaC10H15N5
Average Molecular Weight205.2596
Monoisotopic Molecular Weight205.132745505
IUPAC Name1-carbamimidamido-N-(2-phenylethyl)methanimidamide
Traditional Namephenethylbiguanide
CAS Registry Number114-86-3
SMILES
NC(=N)NC(=N)NCCC1=CC=CC=C1
InChI Identifier
InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
InChI KeyICFJFFQQTFMIBG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassGuanidines
Direct ParentBiguanides
Alternative Parents
Substituents
  • Biguanide
  • Benzenoid
  • Monocyclic benzene moiety
  • Carboximidamide
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Imine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point175 - 178 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.23 g/LNot Available
LogP0.1Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.23 g/LALOGPS
logP10(-0.72) g/LALOGPS
logP10(0.83) g/LChemAxon
logS10(-3) g/LALOGPS
pKa (Strongest Basic)11.97ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area97.78 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity80.72 m³·mol⁻¹ChemAxon
Polarizability22.14 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+148.35731661259
DarkChem[M-H]-146.47731661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PhenforminNC(=N)NC(=N)NCCC1=CC=CC=C13711.8Standard polar33892256
PhenforminNC(=N)NC(=N)NCCC1=CC=CC=C11652.3Standard non polar33892256
PhenforminNC(=N)NC(=N)NCCC1=CC=CC=C12251.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Phenformin,1TMS,isomer #1C[Si](C)(C)NC(=N)NC(=N)NCCC1=CC=CC=C12587.8Semi standard non polar33892256
Phenformin,1TMS,isomer #1C[Si](C)(C)NC(=N)NC(=N)NCCC1=CC=CC=C12128.8Standard non polar33892256
Phenformin,1TMS,isomer #1C[Si](C)(C)NC(=N)NC(=N)NCCC1=CC=CC=C13699.1Standard polar33892256
Phenformin,1TMS,isomer #2C[Si](C)(C)N=C(N)NC(=N)NCCC1=CC=CC=C12400.2Semi standard non polar33892256
Phenformin,1TMS,isomer #2C[Si](C)(C)N=C(N)NC(=N)NCCC1=CC=CC=C12119.6Standard non polar33892256
Phenformin,1TMS,isomer #2C[Si](C)(C)N=C(N)NC(=N)NCCC1=CC=CC=C13670.0Standard polar33892256
Phenformin,1TMS,isomer #3C[Si](C)(C)N(C(=N)N)C(=N)NCCC1=CC=CC=C12480.0Semi standard non polar33892256
Phenformin,1TMS,isomer #3C[Si](C)(C)N(C(=N)N)C(=N)NCCC1=CC=CC=C12175.7Standard non polar33892256
Phenformin,1TMS,isomer #3C[Si](C)(C)N(C(=N)N)C(=N)NCCC1=CC=CC=C13613.8Standard polar33892256
Phenformin,1TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N2421.5Semi standard non polar33892256
Phenformin,1TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N2000.3Standard non polar33892256
Phenformin,1TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N3821.0Standard polar33892256
Phenformin,1TMS,isomer #5C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N2467.2Semi standard non polar33892256
Phenformin,1TMS,isomer #5C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N2178.1Standard non polar33892256
Phenformin,1TMS,isomer #5C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N3914.7Standard polar33892256
Phenformin,2TMS,isomer #1C[Si](C)(C)N(C(=N)NC(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2628.4Semi standard non polar33892256
Phenformin,2TMS,isomer #1C[Si](C)(C)N(C(=N)NC(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2287.3Standard non polar33892256
Phenformin,2TMS,isomer #1C[Si](C)(C)N(C(=N)NC(=N)NCCC1=CC=CC=C1)[Si](C)(C)C3584.2Standard polar33892256
Phenformin,2TMS,isomer #10C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N)[Si](C)(C)C2405.2Semi standard non polar33892256
Phenformin,2TMS,isomer #10C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N)[Si](C)(C)C2336.5Standard non polar33892256
Phenformin,2TMS,isomer #10C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N)[Si](C)(C)C3587.4Standard polar33892256
Phenformin,2TMS,isomer #11C[Si](C)(C)N=C(NC(=N)N)N(CCC1=CC=CC=C1)[Si](C)(C)C2377.7Semi standard non polar33892256
Phenformin,2TMS,isomer #11C[Si](C)(C)N=C(NC(=N)N)N(CCC1=CC=CC=C1)[Si](C)(C)C2102.6Standard non polar33892256
Phenformin,2TMS,isomer #11C[Si](C)(C)N=C(NC(=N)N)N(CCC1=CC=CC=C1)[Si](C)(C)C3777.9Standard polar33892256
Phenformin,2TMS,isomer #2C[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N[Si](C)(C)C2495.7Semi standard non polar33892256
Phenformin,2TMS,isomer #2C[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N[Si](C)(C)C2056.5Standard non polar33892256
Phenformin,2TMS,isomer #2C[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N[Si](C)(C)C3628.4Standard polar33892256
Phenformin,2TMS,isomer #3C[Si](C)(C)NC(=N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2526.8Semi standard non polar33892256
Phenformin,2TMS,isomer #3C[Si](C)(C)NC(=N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2249.0Standard non polar33892256
Phenformin,2TMS,isomer #3C[Si](C)(C)NC(=N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C3423.2Standard polar33892256
Phenformin,2TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N[Si](C)(C)C2487.9Semi standard non polar33892256
Phenformin,2TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N[Si](C)(C)C2125.8Standard non polar33892256
Phenformin,2TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N[Si](C)(C)C3610.6Standard polar33892256
Phenformin,2TMS,isomer #5C[Si](C)(C)NC(=N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C2551.3Semi standard non polar33892256
Phenformin,2TMS,isomer #5C[Si](C)(C)NC(=N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C2275.8Standard non polar33892256
Phenformin,2TMS,isomer #5C[Si](C)(C)NC(=N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C3583.0Standard polar33892256
Phenformin,2TMS,isomer #6C[Si](C)(C)N=C(N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2361.1Semi standard non polar33892256
Phenformin,2TMS,isomer #6C[Si](C)(C)N=C(N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2200.3Standard non polar33892256
Phenformin,2TMS,isomer #6C[Si](C)(C)N=C(N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C3502.3Standard polar33892256
Phenformin,2TMS,isomer #7C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)NCCC1=CC=CC=C12333.8Semi standard non polar33892256
Phenformin,2TMS,isomer #7C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)NCCC1=CC=CC=C11993.6Standard non polar33892256
Phenformin,2TMS,isomer #7C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)NCCC1=CC=CC=C13666.5Standard polar33892256
Phenformin,2TMS,isomer #8C[Si](C)(C)N=C(N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C2356.6Semi standard non polar33892256
Phenformin,2TMS,isomer #8C[Si](C)(C)N=C(N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C2259.0Standard non polar33892256
Phenformin,2TMS,isomer #8C[Si](C)(C)N=C(N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C3662.9Standard polar33892256
Phenformin,2TMS,isomer #9C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N)[Si](C)(C)C2344.8Semi standard non polar33892256
Phenformin,2TMS,isomer #9C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N)[Si](C)(C)C2138.2Standard non polar33892256
Phenformin,2TMS,isomer #9C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N)[Si](C)(C)C3547.3Standard polar33892256
Phenformin,3TMS,isomer #1C[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C2489.2Semi standard non polar33892256
Phenformin,3TMS,isomer #1C[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C2230.2Standard non polar33892256
Phenformin,3TMS,isomer #1C[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C3384.9Standard polar33892256
Phenformin,3TMS,isomer #10C[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2447.4Semi standard non polar33892256
Phenformin,3TMS,isomer #10C[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2217.4Standard non polar33892256
Phenformin,3TMS,isomer #10C[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C3448.0Standard polar33892256
Phenformin,3TMS,isomer #11C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)NCCC1=CC=CC=C1)[Si](C)(C)C2305.4Semi standard non polar33892256
Phenformin,3TMS,isomer #11C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)NCCC1=CC=CC=C1)[Si](C)(C)C2016.5Standard non polar33892256
Phenformin,3TMS,isomer #11C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)NCCC1=CC=CC=C1)[Si](C)(C)C3468.5Standard polar33892256
Phenformin,3TMS,isomer #12C[Si](C)(C)N=C(N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2341.7Semi standard non polar33892256
Phenformin,3TMS,isomer #12C[Si](C)(C)N=C(N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2351.1Standard non polar33892256
Phenformin,3TMS,isomer #12C[Si](C)(C)N=C(N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C3485.8Standard polar33892256
Phenformin,3TMS,isomer #13C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2314.2Semi standard non polar33892256
Phenformin,3TMS,isomer #13C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2024.3Standard non polar33892256
Phenformin,3TMS,isomer #13C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C3599.5Standard polar33892256
Phenformin,3TMS,isomer #14C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C2313.7Semi standard non polar33892256
Phenformin,3TMS,isomer #14C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C2247.3Standard non polar33892256
Phenformin,3TMS,isomer #14C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C3398.0Standard polar33892256
Phenformin,3TMS,isomer #2C[Si](C)(C)N(C(=N)NCCC1=CC=CC=C1)C(=N)N([Si](C)(C)C)[Si](C)(C)C2476.4Semi standard non polar33892256
Phenformin,3TMS,isomer #2C[Si](C)(C)N(C(=N)NCCC1=CC=CC=C1)C(=N)N([Si](C)(C)C)[Si](C)(C)C2444.4Standard non polar33892256
Phenformin,3TMS,isomer #2C[Si](C)(C)N(C(=N)NCCC1=CC=CC=C1)C(=N)N([Si](C)(C)C)[Si](C)(C)C3311.1Standard polar33892256
Phenformin,3TMS,isomer #3C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2433.5Semi standard non polar33892256
Phenformin,3TMS,isomer #3C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2298.1Standard non polar33892256
Phenformin,3TMS,isomer #3C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N([Si](C)(C)C)[Si](C)(C)C3497.1Standard polar33892256
Phenformin,3TMS,isomer #4C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2525.4Semi standard non polar33892256
Phenformin,3TMS,isomer #4C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2443.9Standard non polar33892256
Phenformin,3TMS,isomer #4C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C3444.9Standard polar33892256
Phenformin,3TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2412.1Semi standard non polar33892256
Phenformin,3TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C2245.8Standard non polar33892256
Phenformin,3TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C3255.2Standard polar33892256
Phenformin,3TMS,isomer #6C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C)N[Si](C)(C)C2406.2Semi standard non polar33892256
Phenformin,3TMS,isomer #6C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C)N[Si](C)(C)C2013.3Standard non polar33892256
Phenformin,3TMS,isomer #6C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C)N[Si](C)(C)C3541.0Standard polar33892256
Phenformin,3TMS,isomer #7C[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C2435.1Semi standard non polar33892256
Phenformin,3TMS,isomer #7C[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C2210.7Standard non polar33892256
Phenformin,3TMS,isomer #7C[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C3490.5Standard polar33892256
Phenformin,3TMS,isomer #8C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2406.2Semi standard non polar33892256
Phenformin,3TMS,isomer #8C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2260.7Standard non polar33892256
Phenformin,3TMS,isomer #8C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C3338.8Standard polar33892256
Phenformin,3TMS,isomer #9C[Si](C)(C)NC(=N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2458.2Semi standard non polar33892256
Phenformin,3TMS,isomer #9C[Si](C)(C)NC(=N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2425.3Standard non polar33892256
Phenformin,3TMS,isomer #9C[Si](C)(C)NC(=N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C3323.1Standard polar33892256
Phenformin,4TMS,isomer #1C[Si](C)(C)N=C(N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2433.0Semi standard non polar33892256
Phenformin,4TMS,isomer #1C[Si](C)(C)N=C(N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2425.4Standard non polar33892256
Phenformin,4TMS,isomer #1C[Si](C)(C)N=C(N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3004.2Standard polar33892256
Phenformin,4TMS,isomer #10C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2428.9Semi standard non polar33892256
Phenformin,4TMS,isomer #10C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2365.2Standard non polar33892256
Phenformin,4TMS,isomer #10C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C3099.9Standard polar33892256
Phenformin,4TMS,isomer #11C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2306.6Semi standard non polar33892256
Phenformin,4TMS,isomer #11C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2063.0Standard non polar33892256
Phenformin,4TMS,isomer #11C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C3350.0Standard polar33892256
Phenformin,4TMS,isomer #2C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2393.4Semi standard non polar33892256
Phenformin,4TMS,isomer #2C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2136.7Standard non polar33892256
Phenformin,4TMS,isomer #2C[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3337.7Standard polar33892256
Phenformin,4TMS,isomer #3C[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2463.5Semi standard non polar33892256
Phenformin,4TMS,isomer #3C[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2354.0Standard non polar33892256
Phenformin,4TMS,isomer #3C[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3268.8Standard polar33892256
Phenformin,4TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2396.0Semi standard non polar33892256
Phenformin,4TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2457.6Standard non polar33892256
Phenformin,4TMS,isomer #4C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3212.4Standard polar33892256
Phenformin,4TMS,isomer #5C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2472.7Semi standard non polar33892256
Phenformin,4TMS,isomer #5C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2617.7Standard non polar33892256
Phenformin,4TMS,isomer #5C[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3198.2Standard polar33892256
Phenformin,4TMS,isomer #6C[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2447.6Semi standard non polar33892256
Phenformin,4TMS,isomer #6C[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2364.2Standard non polar33892256
Phenformin,4TMS,isomer #6C[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C3323.3Standard polar33892256
Phenformin,4TMS,isomer #7C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2371.4Semi standard non polar33892256
Phenformin,4TMS,isomer #7C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2082.1Standard non polar33892256
Phenformin,4TMS,isomer #7C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C3171.6Standard polar33892256
Phenformin,4TMS,isomer #8C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2418.1Semi standard non polar33892256
Phenformin,4TMS,isomer #8C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2386.4Standard non polar33892256
Phenformin,4TMS,isomer #8C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C3143.4Standard polar33892256
Phenformin,4TMS,isomer #9C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C2408.1Semi standard non polar33892256
Phenformin,4TMS,isomer #9C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C2055.0Standard non polar33892256
Phenformin,4TMS,isomer #9C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C3380.6Standard polar33892256
Phenformin,5TMS,isomer #1C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2388.9Semi standard non polar33892256
Phenformin,5TMS,isomer #1C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2194.9Standard non polar33892256
Phenformin,5TMS,isomer #1C[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2911.4Standard polar33892256
Phenformin,5TMS,isomer #2C[Si](C)(C)N=C(N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2474.4Semi standard non polar33892256
Phenformin,5TMS,isomer #2C[Si](C)(C)N=C(N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2513.2Standard non polar33892256
Phenformin,5TMS,isomer #2C[Si](C)(C)N=C(N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2894.3Standard polar33892256
Phenformin,5TMS,isomer #3C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2425.2Semi standard non polar33892256
Phenformin,5TMS,isomer #3C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C2140.8Standard non polar33892256
Phenformin,5TMS,isomer #3C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C3173.0Standard polar33892256
Phenformin,5TMS,isomer #4C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2450.4Semi standard non polar33892256
Phenformin,5TMS,isomer #4C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2501.4Standard non polar33892256
Phenformin,5TMS,isomer #4C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2958.5Standard polar33892256
Phenformin,5TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2393.0Semi standard non polar33892256
Phenformin,5TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2137.2Standard non polar33892256
Phenformin,5TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C2919.0Standard polar33892256
Phenformin,6TMS,isomer #1C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2473.2Semi standard non polar33892256
Phenformin,6TMS,isomer #1C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2301.1Standard non polar33892256
Phenformin,6TMS,isomer #1C[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2667.3Standard polar33892256
Phenformin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NC(=N)NCCC1=CC=CC=C12767.4Semi standard non polar33892256
Phenformin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NC(=N)NCCC1=CC=CC=C12388.4Standard non polar33892256
Phenformin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NC(=N)NCCC1=CC=CC=C13708.3Standard polar33892256
Phenformin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N)NC(=N)NCCC1=CC=CC=C12618.9Semi standard non polar33892256
Phenformin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N)NC(=N)NCCC1=CC=CC=C12350.0Standard non polar33892256
Phenformin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N)NC(=N)NCCC1=CC=CC=C13745.8Standard polar33892256
Phenformin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=N)N)C(=N)NCCC1=CC=CC=C12639.4Semi standard non polar33892256
Phenformin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=N)N)C(=N)NCCC1=CC=CC=C12429.8Standard non polar33892256
Phenformin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=N)N)C(=N)NCCC1=CC=CC=C13657.4Standard polar33892256
Phenformin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N2604.6Semi standard non polar33892256
Phenformin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N2240.4Standard non polar33892256
Phenformin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N3859.2Standard polar33892256
Phenformin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N2623.9Semi standard non polar33892256
Phenformin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N2414.3Standard non polar33892256
Phenformin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N3945.8Standard polar33892256
Phenformin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NC(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2921.6Semi standard non polar33892256
Phenformin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NC(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2723.9Standard non polar33892256
Phenformin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NC(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3588.9Standard polar33892256
Phenformin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C2798.9Semi standard non polar33892256
Phenformin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C2759.6Standard non polar33892256
Phenformin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C3648.3Standard polar33892256
Phenformin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(NC(=N)N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2764.7Semi standard non polar33892256
Phenformin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(NC(=N)N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2491.7Standard non polar33892256
Phenformin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(NC(=N)N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3797.3Standard polar33892256
Phenformin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C2874.2Semi standard non polar33892256
Phenformin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C2509.1Standard non polar33892256
Phenformin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C3589.0Standard polar33892256
Phenformin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2891.1Semi standard non polar33892256
Phenformin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2719.0Standard non polar33892256
Phenformin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3463.8Standard polar33892256
Phenformin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N[Si](C)(C)C(C)(C)C2889.1Semi standard non polar33892256
Phenformin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N[Si](C)(C)C(C)(C)C2576.6Standard non polar33892256
Phenformin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N[Si](C)(C)C(C)(C)C3587.2Standard polar33892256
Phenformin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2906.7Semi standard non polar33892256
Phenformin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2723.9Standard non polar33892256
Phenformin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3591.3Standard polar33892256
Phenformin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2771.1Semi standard non polar33892256
Phenformin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2629.4Standard non polar33892256
Phenformin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3606.2Standard polar33892256
Phenformin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)NCCC1=CC=CC=C12774.9Semi standard non polar33892256
Phenformin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)NCCC1=CC=CC=C12398.1Standard non polar33892256
Phenformin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)NCCC1=CC=CC=C13731.3Standard polar33892256
Phenformin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2766.7Semi standard non polar33892256
Phenformin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2673.6Standard non polar33892256
Phenformin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3741.7Standard polar33892256
Phenformin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N)[Si](C)(C)C(C)(C)C2760.2Semi standard non polar33892256
Phenformin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N)[Si](C)(C)C(C)(C)C2541.4Standard non polar33892256
Phenformin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N)[Si](C)(C)C(C)(C)C3610.4Standard polar33892256
Phenformin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3054.5Semi standard non polar33892256
Phenformin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2795.0Standard non polar33892256
Phenformin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NC(=N)NCCC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3453.7Standard polar33892256
Phenformin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3073.5Semi standard non polar33892256
Phenformin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2763.4Standard non polar33892256
Phenformin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3510.8Standard polar33892256
Phenformin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2906.8Semi standard non polar33892256
Phenformin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2505.2Standard non polar33892256
Phenformin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3626.3Standard polar33892256
Phenformin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2986.6Semi standard non polar33892256
Phenformin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2922.6Standard non polar33892256
Phenformin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3649.7Standard polar33892256
Phenformin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2949.0Semi standard non polar33892256
Phenformin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2521.5Standard non polar33892256
Phenformin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3724.2Standard polar33892256
Phenformin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2972.8Semi standard non polar33892256
Phenformin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2773.4Standard non polar33892256
Phenformin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C3557.7Standard polar33892256
Phenformin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)NCCC1=CC=CC=C1)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3035.4Semi standard non polar33892256
Phenformin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)NCCC1=CC=CC=C1)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3015.2Standard non polar33892256
Phenformin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)NCCC1=CC=CC=C1)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3412.6Standard polar33892256
Phenformin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3052.1Semi standard non polar33892256
Phenformin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2900.0Standard non polar33892256
Phenformin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3525.1Standard polar33892256
Phenformin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3105.5Semi standard non polar33892256
Phenformin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3027.6Standard non polar33892256
Phenformin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3507.2Standard polar33892256
Phenformin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3000.3Semi standard non polar33892256
Phenformin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2792.8Standard non polar33892256
Phenformin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3376.2Standard polar33892256
Phenformin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3031.6Semi standard non polar33892256
Phenformin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2530.8Standard non polar33892256
Phenformin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3541.7Standard polar33892256
Phenformin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3050.8Semi standard non polar33892256
Phenformin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2802.7Standard non polar33892256
Phenformin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3528.6Standard polar33892256
Phenformin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3014.2Semi standard non polar33892256
Phenformin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2826.5Standard non polar33892256
Phenformin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3434.6Standard polar33892256
Phenformin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3077.8Semi standard non polar33892256
Phenformin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3029.6Standard non polar33892256
Phenformin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3444.5Standard polar33892256
Phenformin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3230.3Semi standard non polar33892256
Phenformin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3079.6Standard non polar33892256
Phenformin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(C(=N)NCCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3254.3Standard polar33892256
Phenformin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3257.2Semi standard non polar33892256
Phenformin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3021.5Standard non polar33892256
Phenformin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3330.1Standard polar33892256
Phenformin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3171.1Semi standard non polar33892256
Phenformin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2741.8Standard non polar33892256
Phenformin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3630.1Standard polar33892256
Phenformin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3196.1Semi standard non polar33892256
Phenformin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2786.1Standard non polar33892256
Phenformin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3445.0Standard polar33892256
Phenformin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3271.5Semi standard non polar33892256
Phenformin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3022.2Standard non polar33892256
Phenformin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3413.1Standard polar33892256
Phenformin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3183.7Semi standard non polar33892256
Phenformin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3118.9Standard non polar33892256
Phenformin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3361.8Standard polar33892256
Phenformin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3269.1Semi standard non polar33892256
Phenformin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3330.4Standard non polar33892256
Phenformin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC1=CC=CC=C1)C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3362.4Standard polar33892256
Phenformin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3275.3Semi standard non polar33892256
Phenformin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3049.7Standard non polar33892256
Phenformin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3455.1Standard polar33892256
Phenformin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3101.7Semi standard non polar33892256
Phenformin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2690.7Standard non polar33892256
Phenformin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3356.5Standard polar33892256
Phenformin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3222.2Semi standard non polar33892256
Phenformin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3042.5Standard non polar33892256
Phenformin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3356.8Standard polar33892256
Phenformin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3207.8Semi standard non polar33892256
Phenformin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2675.9Standard non polar33892256
Phenformin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3490.7Standard polar33892256
Phenformin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3359.4Semi standard non polar33892256
Phenformin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3010.7Standard non polar33892256
Phenformin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NCCC1=CC=CC=C1)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3187.1Standard polar33892256
Phenformin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3464.9Semi standard non polar33892256
Phenformin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3308.8Standard non polar33892256
Phenformin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N(C(=N)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3195.2Standard polar33892256
Phenformin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3419.4Semi standard non polar33892256
Phenformin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C2949.2Standard non polar33892256
Phenformin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C3333.7Standard polar33892256
Phenformin,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3452.6Semi standard non polar33892256
Phenformin,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3299.0Standard non polar33892256
Phenformin,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3215.6Standard polar33892256
Phenformin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3361.8Semi standard non polar33892256
Phenformin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2939.5Standard non polar33892256
Phenformin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3212.7Standard polar33892256
Phenformin,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3628.4Semi standard non polar33892256
Phenformin,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3271.9Standard non polar33892256
Phenformin,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(CCC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3104.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Phenformin GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ox-9500000000-7aebea06c771026246382017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenformin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 60V, Positive-QTOFsplash10-03di-9400000000-2d44b89cb35caa8af3432021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 45V, Positive-QTOFsplash10-03di-9200000000-84c6ee46a948d9683d212021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 15V, Positive-QTOFsplash10-0bt9-4090000000-5c08dc77a8ac5fd63dec2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 30V, Positive-QTOFsplash10-08fr-9160000000-ca1343aa62b10814e8cd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 90V, Positive-QTOFsplash10-08fr-9600000000-5ec2ed0dee0ef942d15c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 75V, Positive-QTOFsplash10-08fr-9500000000-313e09ee1de7b12486352021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 30V, Positive-QTOFsplash10-08fr-9160000000-b3cdd4f6083050612a032021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenformin 60V, Positive-QTOFsplash10-03di-9300000000-2d44b89cb35caa8af3432021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 10V, Negative-QTOFsplash10-03di-3920000000-7e451374685fe10f76c52016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 20V, Negative-QTOFsplash10-0h90-4900000000-532805a64addc685b93c2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 40V, Negative-QTOFsplash10-0f6x-9300000000-85a7cc68d5a3c3790ab62016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 10V, Negative-QTOFsplash10-0w29-1690000000-cd872022fe30b41c7d302021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 20V, Negative-QTOFsplash10-0006-9310000000-4ae82fa61b7ad3d189922021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 40V, Negative-QTOFsplash10-0006-9000000000-11fec908bf9434b85d4e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 10V, Positive-QTOFsplash10-0bt9-4890000000-b88f4fe8b0b311cf8c172016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 20V, Positive-QTOFsplash10-08fr-4900000000-41c5dc8a4d45a1c0e6a52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 40V, Positive-QTOFsplash10-114l-9600000000-ee92cef524c70103d29b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 10V, Positive-QTOFsplash10-0a4i-1290000000-cc97f925ae19c10ad8c22021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 20V, Positive-QTOFsplash10-0a4i-4900000000-d7923d1935590026b4972021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phenformin 40V, Positive-QTOFsplash10-052f-9600000000-b122e284c40b1ce21dd52021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00914 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00914 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00914
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID7953
KEGG Compound IDC07673
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhenformin
METLIN IDNot Available
PubChem Compound8249
PDB IDNot Available
ChEBI ID8064
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Rosand J, Friedberg JW, Yang JM: Fatal phenformin-associated lactic acidosis. Ann Intern Med. 1997 Jul 15;127(2):170. [PubMed:9230023 ]
  2. Enia G, Garozzo M, Zoccali C: Lactic acidosis induced by phenformin is still a public health problem in Italy. BMJ. 1997 Nov 29;315(7120):1466-7. [PubMed:9418116 ]

Enzymes

General function:
Involved in monooxygenase activity
Specific function:
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:
CYP2D6
Uniprot ID:
P10635
Molecular weight:
55768.94
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
General function:
Involved in protein kinase activity
Specific function:
Responsible for the regulation of fatty acid synthesis by phosphorylation of acetyl-CoA carboxylase. It also regulates cholesterol synthesis via phosphorylation and inactivation of hormone-sensitive lipase and hydroxymethylglutaryl-CoA reductase. Appears to act as a metabolic stress-sensing protein kinase switching off biosynthetic pathways when cellular ATP levels are depleted and when 5'-AMP rises in response to fuel limitation and/or hypoxia. This is a catalytic subunit
Gene Name:
PRKAA1
Uniprot ID:
Q13131
Molecular weight:
64008.6
References
  1. Woollhead AM, Sivagnanasundaram J, Kalsi KK, Pucovsky V, Pellatt LJ, Scott JW, Mustard KJ, Hardie DG, Baines DL: Pharmacological activators of AMP-activated protein kinase have different effects on Na+ transport processes across human lung epithelial cells. Br J Pharmacol. 2007 Aug;151(8):1204-15. Epub 2007 Jul 2. [PubMed:17603555 ]
  2. Chen S, Murphy J, Toth R, Campbell DG, Morrice NA, Mackintosh C: Complementary regulation of TBC1D1 and AS160 by growth factors, insulin and AMPK activators. Biochem J. 2008 Jan 15;409(2):449-59. [PubMed:17995453 ]
  3. Zhang L, He H, Balschi JA: Metformin and phenformin activate AMP-activated protein kinase in the heart by increasing cytosolic AMP concentration. Am J Physiol Heart Circ Physiol. 2007 Jul;293(1):H457-66. Epub 2007 Mar 16. [PubMed:17369473 ]
General function:
Involved in inward rectifier potassium channel activity
Specific function:
This potassium channel is controlled by G proteins. Inward rectifier potassium channels are characterized by a greater tendency to allow potassium to flow into the cell rather than out of it. Their voltage dependence is regulated by the concentration of extracellular potassium; as external potassium is raised, the voltage range of the channel opening shifts to more positive voltages. The inward rectification is mainly due to the blockage of outward current by internal magnesium. Can be blocked by external barium
Gene Name:
KCNJ8
Uniprot ID:
Q15842
Molecular weight:
47967.5
References
  1. Aziz Q, Thomas A, Khambra T, Tinker A: Phenformin has a direct inhibitory effect on the ATP-sensitive potassium channel. Eur J Pharmacol. 2010 May 25;634(1-3):26-32. doi: 10.1016/j.ejphar.2010.02.023. Epub 2010 Feb 25. [PubMed:20188727 ]

Transporters

General function:
Involved in ion transmembrane transporter activity
Specific function:
Translocates a broad array of organic cations with various structures and molecular weights including the model compounds 1-methyl-4-phenylpyridinium (MPP), tetraethylammonium (TEA), N-1-methylnicotinamide (NMN), 4-(4-(dimethylamino)styryl)- N-methylpyridinium (ASP), the endogenous compounds choline, guanidine, histamine, epinephrine, adrenaline, noradrenaline and dopamine, and the drugs quinine, and metformin. The transport of organic cations is inhibited by a broad array of compounds like tetramethylammonium (TMA), cocaine, lidocaine, NMDA receptor antagonists, atropine, prazosin, cimetidine, TEA and NMN, guanidine, cimetidine, choline, procainamide, quinine, tetrabutylammonium, and tetrapentylammonium. Translocates organic cations in an electrogenic and pH-independent manner. Translocates organic cations across the plasma membrane in both directions. Transports the polyamines spermine and spermidine. Transports pramipexole across the basolateral membrane of the proximal tubular epithelial cells. The choline transport is activated by MMTS. Regulated by various intracellular signaling pathways including inhibition by protein kinase A activation, and endogenously activation by the calmodulin complex, the calmodulin- dependent kinase II and LCK tyrosine kinase
Gene Name:
SLC22A1
Uniprot ID:
O15245
Molecular weight:
61187.4
References
  1. Dresser MJ, Xiao G, Leabman MK, Gray AT, Giacomini KM: Interactions of n-tetraalkylammonium compounds and biguanides with a human renal organic cation transporter (hOCT2). Pharm Res. 2002 Aug;19(8):1244-7. [PubMed:12240953 ]
  2. Wang DS, Jonker JW, Kato Y, Kusuhara H, Schinkel AH, Sugiyama Y: Involvement of organic cation transporter 1 in hepatic and intestinal distribution of metformin. J Pharmacol Exp Ther. 2002 Aug;302(2):510-5. [PubMed:12130709 ]
General function:
Involved in ion transmembrane transporter activity
Specific function:
Mediates tubular uptake of organic compounds from circulation. Mediates the influx of agmatine, dopamine, noradrenaline (norepinephrine), serotonin, choline, famotidine, ranitidine, histamin, creatinine, amantadine, memantine, acriflavine, 4-[4-(dimethylamino)-styryl]-N-methylpyridinium ASP, amiloride, metformin, N-1-methylnicotinamide (NMN), tetraethylammonium (TEA), 1-methyl-4-phenylpyridinium (MPP), cimetidine, cisplatin and oxaliplatin. Cisplatin may develop a nephrotoxic action. Transport of creatinine is inhibited by fluoroquinolones such as DX-619 and LVFX. This transporter is a major determinant of the anticancer activity of oxaliplatin and may contribute to antitumor specificity
Gene Name:
SLC22A2
Uniprot ID:
O15244
Molecular weight:
62564.0
References
  1. Dresser MJ, Xiao G, Leabman MK, Gray AT, Giacomini KM: Interactions of n-tetraalkylammonium compounds and biguanides with a human renal organic cation transporter (hOCT2). Pharm Res. 2002 Aug;19(8):1244-7. [PubMed:12240953 ]