Hmdb loader

Showing metabocard for 1,1-Dimethylbiguanide (HMDB0001921)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-18 08:29:34 UTC
Update Date2023-02-21 17:15:58 UTC
HMDB IDHMDB0001921
Secondary Accession Numbers
  • HMDB01921
Metabolite Identification
Common Name1,1-Dimethylbiguanide
Description1,1-Dimethylbiguanide, commonly known as metformin, is a member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. It has a role as a hypoglycemic agent, a xenobiotic and an environmental contaminant. It derives from a biguanide. It is a conjugate base of a metformin(1+). Metformin is a biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. Metformin is the most popular anti-diabetic drug in the United States and one of the most prescribed drugs in the country overall, with nearly 35 million prescriptions filled in 2006 for generic metformin alone. It is also used in the treatment of polycystic ovary syndrome. It is not associated with weight gain and is taken by mouth. It is sometimes used as an off-label augment to attenuate the risk of weight gain in people who take antipsychotics as well as phenelzine.
Structure
Data?1676999757
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001921 (1,1-Dimethylbiguanide)


  Mrv1652305261923512D          

  9  8  0  0  0  0            999 V2000
   -3.1875    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    2.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0001921 (1,1-Dimethylbiguanide)

HMDB0001921
     RDKit          3D
1,1-Dimethylbiguanide
 20 19  0  0  0  0  0  0  0  0999 V2000
   -0.9652   -1.0562    0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -0.0724   -0.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783    0.4386   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    0.3675   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195    0.1960   -2.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065    0.9883   -0.4397 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673    0.2893    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888    0.7624    1.4579 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969   -0.9629   -0.0759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046   -1.7762    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986   -1.6577    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -0.5333    1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400    1.1348    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    0.9775   -1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -0.4245   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799    0.4827   -2.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    1.9996   -0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754    1.6679    1.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   -1.8305    0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061   -0.9911   -0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  1  0
  7  8  2  3
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END
Download

3D SDF for HMDB0001921 (1,1-Dimethylbiguanide)


  Mrv1652305261923512D          

  9  8  0  0  0  0            999 V2000
   -3.1875    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    2.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001921

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(C)C(=N)NC(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)

> <INCHI_KEY>
XZWYZXLIPXDOLR-UHFFFAOYSA-N

> <FORMULA>
C4H11N5

> <MOLECULAR_WEIGHT>
129.1636

> <EXACT_MASS>
129.101445377

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.427402057500638

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-carbamimidamido-N,N-dimethylmethanimidamide

> <ALOGPS_LOGP>
-1.83

> <JCHEM_LOGP>
-0.9184292649999999

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
12.325150598103365

> <JCHEM_POLAR_SURFACE_AREA>
88.99

> <JCHEM_REFRACTIVITY>
56.642700000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
metformin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001921 (1,1-Dimethylbiguanide)

HMDB0001921
     RDKit          3D
1,1-Dimethylbiguanide
 20 19  0  0  0  0  0  0  0  0999 V2000
   -0.9652   -1.0562    0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -0.0724   -0.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783    0.4386   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    0.3675   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195    0.1960   -2.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065    0.9883   -0.4397 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673    0.2893    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888    0.7624    1.4579 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969   -0.9629   -0.0759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046   -1.7762    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986   -1.6577    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -0.5333    1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400    1.1348    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    0.9775   -1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -0.4245   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799    0.4827   -2.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    1.9996   -0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754    1.6679    1.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   -1.8305    0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061   -0.9911   -0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  1  0
  7  8  2  3
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END
Download

PDB for HMDB0001921 (1,1-Dimethylbiguanide)

HEADER    PROTEIN                                 26-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-19         0                                  
HETATM    1  N   UNK     0      -5.950   2.508   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0      -4.616   0.198   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -4.616   1.738   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -3.283   2.508   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0      -1.949   0.198   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -1.949   1.738   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.615   4.048   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -0.615   2.508   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       0.718   1.738   0.000  0.00  0.00           C+0
CONECT    1    3                                                            
CONECT    2    3                                                            
CONECT    3    1    2    4                                                  
CONECT    4    3    6                                                       
CONECT    5    6                                                            
CONECT    6    4    5    8                                                  
CONECT    7    8                                                            
CONECT    8    6    7    9                                                  
CONECT    9    8                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
Download

3D PDB for HMDB0001921 (1,1-Dimethylbiguanide)

COMPND    HMDB0001921
HETATM    1  C1  UNL     1      -0.965  -1.056   0.988  1.00  0.00           C  
HETATM    2  N1  UNL     1      -1.215  -0.072  -0.048  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.578   0.439  -0.156  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.179   0.367  -0.914  1.00  0.00           C  
HETATM    5  N2  UNL     1      -0.319   0.196  -2.182  1.00  0.00           N  
HETATM    6  N3  UNL     1       1.006   0.988  -0.440  1.00  0.00           N  
HETATM    7  C4  UNL     1       1.967   0.289   0.345  1.00  0.00           C  
HETATM    8  N4  UNL     1       2.389   0.762   1.458  1.00  0.00           N  
HETATM    9  N5  UNL     1       2.497  -0.963  -0.076  1.00  0.00           N  
HETATM   10  H1  UNL     1      -0.205  -1.776   0.686  1.00  0.00           H  
HETATM   11  H2  UNL     1      -1.899  -1.658   1.198  1.00  0.00           H  
HETATM   12  H3  UNL     1      -0.732  -0.533   1.936  1.00  0.00           H  
HETATM   13  H4  UNL     1      -2.840   1.135   0.635  1.00  0.00           H  
HETATM   14  H5  UNL     1      -2.713   0.977  -1.128  1.00  0.00           H  
HETATM   15  H6  UNL     1      -3.284  -0.425  -0.178  1.00  0.00           H  
HETATM   16  H7  UNL     1       0.380   0.483  -2.890  1.00  0.00           H  
HETATM   17  H8  UNL     1       1.236   2.000  -0.645  1.00  0.00           H  
HETATM   18  H9  UNL     1       2.075   1.668   1.869  1.00  0.00           H  
HETATM   19  H10 UNL     1       2.173  -1.830   0.357  1.00  0.00           H  
HETATM   20  H11 UNL     1       3.206  -0.991  -0.817  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    4
CONECT    3   13   14   15
CONECT    4    5    5    6
CONECT    5   16
CONECT    6    7   17
CONECT    7    8    8    9
CONECT    8   18
CONECT    9   19   20
END
Download

SMILES for HMDB0001921 (1,1-Dimethylbiguanide)

CN(C)C(=N)NC(N)=N
Download

INCHI for HMDB0001921 (1,1-Dimethylbiguanide)

InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
DimethylbiguanideChEBI
DimethyldiguanideChEBI
LA 6023ChEBI
LA-6023ChEBI
MetforminaChEBI
MetformineChEBI
MetforminumChEBI
N,N-DimethylbiguanideChEBI
N,N-DimethyldiguanideChEBI
N,N-DimethylguanylguanidineChEBI
N,N-Dimethylimidodicarbonimidic diamideChEBI
N(1),N(1)-DimethylbiguanideChEBI
1,1-Dimethyl biguanideHMDB
DiabefagosHMDB
DiabexHMDB
DiaforminHMDB
DianbenHMDB
DMBGHMDB
FortametHMDB
GlucophageHMDB, MeSH
GlumetzaHMDB
MeguanHMDB
MetforminHMDB
MetiguanideHMDB
N1,N1-DimethylbiguanideHMDB
ObimetHMDB
RiometHMDB
DimethylbiguanidineMeSH, HMDB
DimethylguanylguanidineMeSH, HMDB
Metformin HCLMeSH, HMDB
HCL, MetforminMeSH, HMDB
Hydrochloride, metforminMeSH, HMDB
Metformin hydrochlorideMeSH, HMDB
1,1-DimethylbiguanideChEBI
Chemical FormulaC4H11N5
Average Molecular Weight129.1636
Monoisotopic Molecular Weight129.101445377
IUPAC Name1-carbamimidamido-N,N-dimethylmethanimidamide
Traditional Namemetformin
CAS Registry Number1115-70-4
SMILES
CN(C)C(=N)NC(N)=N
InChI Identifier
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
InChI KeyXZWYZXLIPXDOLR-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
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Imine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effectOrganoleptic effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Environmental roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point223 - 226 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.38 g/LALOGPS
logP-1.8ALOGPS
logP-0.92ChemAxon
logS-2ALOGPS
pKa (Strongest Basic)12.33ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area88.99 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity56.64 m³·mol⁻¹ChemAxon
Polarizability13.43 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+128.93731661259
DarkChem[M-H]-123.60731661259
AllCCS[M+H]+132.93532859911
AllCCS[M-H]-126.65332859911
DeepCCS[M+H]+132.90830932474
DeepCCS[M-H]-130.61530932474
DeepCCS[M-2H]-166.89330932474
DeepCCS[M+Na]+141.76730932474
AllCCS[M+H]+132.932859911
AllCCS[M+H-H2O]+129.032859911
AllCCS[M+NH4]+136.632859911
AllCCS[M+Na]+137.632859911
AllCCS[M-H]-126.732859911
AllCCS[M+Na-2H]-129.732859911
AllCCS[M+HCOO]-133.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1,1-DimethylbiguanideCN(C)C(=N)NC(N)=N2618.8Standard polar33892256
1,1-DimethylbiguanideCN(C)C(=N)NC(N)=N1464.8Standard non polar33892256
1,1-DimethylbiguanideCN(C)C(=N)NC(N)=N1838.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1,1-Dimethylbiguanide,1TMS,isomer #1CN(C)C(=N)NC(=N)N[Si](C)(C)C1893.2Semi standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #1CN(C)C(=N)NC(=N)N[Si](C)(C)C1590.2Standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #1CN(C)C(=N)NC(=N)N[Si](C)(C)C3479.5Standard polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #2CN(C)C(=N[Si](C)(C)C)NC(=N)N1757.6Semi standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #2CN(C)C(=N[Si](C)(C)C)NC(=N)N1479.0Standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #2CN(C)C(=N[Si](C)(C)C)NC(=N)N3285.5Standard polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #3CN(C)C(=N)N(C(=N)N)[Si](C)(C)C1779.3Semi standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #3CN(C)C(=N)N(C(=N)N)[Si](C)(C)C1564.1Standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #3CN(C)C(=N)N(C(=N)N)[Si](C)(C)C3197.7Standard polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #4CN(C)C(=N)NC(N)=N[Si](C)(C)C1796.4Semi standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #4CN(C)C(=N)NC(N)=N[Si](C)(C)C1581.2Standard non polar33892256
1,1-Dimethylbiguanide,1TMS,isomer #4CN(C)C(=N)NC(N)=N[Si](C)(C)C3116.3Standard polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #1CN(C)C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C1850.5Semi standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #1CN(C)C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C1576.6Standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #1CN(C)C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C3074.3Standard polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #2CN(C)C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C1802.0Semi standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #2CN(C)C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C1709.0Standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #2CN(C)C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2913.6Standard polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #3CN(C)C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C1843.2Semi standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #3CN(C)C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C1583.6Standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #3CN(C)C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C3127.7Standard polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #4CN(C)C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C1947.0Semi standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #4CN(C)C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C1653.9Standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #4CN(C)C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C3127.3Standard polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #5CN(C)C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C1747.6Semi standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #5CN(C)C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C1594.4Standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #5CN(C)C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C2856.7Standard polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #6CN(C)C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C1771.6Semi standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #6CN(C)C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C1497.1Standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #6CN(C)C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C2959.5Standard polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #7CN(C)C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C1761.3Semi standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #7CN(C)C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C1663.4Standard non polar33892256
1,1-Dimethylbiguanide,2TMS,isomer #7CN(C)C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C2879.5Standard polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C1776.9Semi standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C1674.1Standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2606.0Standard polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #2CN(C)C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C1820.5Semi standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #2CN(C)C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C1470.0Standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #2CN(C)C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C2871.6Standard polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #3CN(C)C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C1826.0Semi standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #3CN(C)C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C1689.7Standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #3CN(C)C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2755.5Standard polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1793.3Semi standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1678.8Standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2599.9Standard polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #5CN(C)C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1766.0Semi standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #5CN(C)C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1830.2Standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #5CN(C)C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2590.1Standard polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #6CN(C)C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1878.0Semi standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #6CN(C)C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1626.8Standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #6CN(C)C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2759.5Standard polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #7CN(C)C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C1780.1Semi standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #7CN(C)C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C1526.7Standard non polar33892256
1,1-Dimethylbiguanide,3TMS,isomer #7CN(C)C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C2708.2Standard polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1802.8Semi standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1565.8Standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2368.3Standard polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #2CN(C)C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1799.4Semi standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #2CN(C)C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1830.6Standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #2CN(C)C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2372.0Standard polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #3CN(C)C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1841.6Semi standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #3CN(C)C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1563.7Standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #3CN(C)C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2605.9Standard polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1849.8Semi standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1834.4Standard non polar33892256
1,1-Dimethylbiguanide,4TMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2290.1Standard polar33892256
1,1-Dimethylbiguanide,5TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1907.3Semi standard non polar33892256
1,1-Dimethylbiguanide,5TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1729.1Standard non polar33892256
1,1-Dimethylbiguanide,5TMS,isomer #1CN(C)C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2090.3Standard polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #1CN(C)C(=N)NC(=N)N[Si](C)(C)C(C)(C)C2104.5Semi standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #1CN(C)C(=N)NC(=N)N[Si](C)(C)C(C)(C)C1715.0Standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #1CN(C)C(=N)NC(=N)N[Si](C)(C)C(C)(C)C3405.8Standard polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #2CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N1998.5Semi standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #2CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N1632.9Standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #2CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N3402.6Standard polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #3CN(C)C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C1965.9Semi standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #3CN(C)C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C1737.0Standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #3CN(C)C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C3178.6Standard polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #4CN(C)C(=N)NC(N)=N[Si](C)(C)C(C)(C)C2009.1Semi standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #4CN(C)C(=N)NC(N)=N[Si](C)(C)C(C)(C)C1741.5Standard non polar33892256
1,1-Dimethylbiguanide,1TBDMS,isomer #4CN(C)C(=N)NC(N)=N[Si](C)(C)C(C)(C)C3226.0Standard polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #1CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C2300.8Semi standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #1CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C1940.3Standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #1CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C2940.1Standard polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #2CN(C)C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2204.6Semi standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #2CN(C)C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2093.9Standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #2CN(C)C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2793.1Standard polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #3CN(C)C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2254.4Semi standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #3CN(C)C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1896.7Standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #3CN(C)C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2941.2Standard polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #4CN(C)C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2236.5Semi standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #4CN(C)C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2051.3Standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #4CN(C)C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2998.9Standard polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #5CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2121.9Semi standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #5CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C1985.9Standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #5CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2893.1Standard polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #6CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C2202.2Semi standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #6CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C1785.5Standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #6CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C3027.6Standard polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #7CN(C)C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2144.2Semi standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #7CN(C)C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2050.5Standard non polar33892256
1,1-Dimethylbiguanide,2TBDMS,isomer #7CN(C)C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2900.0Standard polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #1CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2370.6Semi standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #1CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2276.5Standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #1CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2677.9Standard polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #2CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2427.0Semi standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #2CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1950.0Standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #2CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2843.1Standard polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #3CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2448.4Semi standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #3CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2298.8Standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #3CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2819.3Standard polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2366.2Semi standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2270.7Standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #4CN(C)C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2665.3Standard polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #5CN(C)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)C2363.6Semi standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #5CN(C)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)C2433.5Standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #5CN(C)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)C2695.8Standard polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #6CN(C)C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2425.8Semi standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #6CN(C)C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2232.2Standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #6CN(C)C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2783.2Standard polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #7CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2333.3Semi standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #7CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2080.4Standard non polar33892256
1,1-Dimethylbiguanide,3TBDMS,isomer #7CN(C)C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2870.4Standard polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #1CN(C)C(=N[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)C2531.1Semi standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #1CN(C)C(=N[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)C2259.9Standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #1CN(C)C(=N[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)C2591.8Standard polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #2CN(C)C(=N[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)C2564.8Semi standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #2CN(C)C(=N[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)C2591.9Standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #2CN(C)C(=N[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)C2617.3Standard polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #3CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2591.7Semi standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #3CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2285.3Standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #3CN(C)C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2739.3Standard polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #4CN(C)C(=N)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)C2577.3Semi standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #4CN(C)C(=N)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)C2593.7Standard non polar33892256
1,1-Dimethylbiguanide,4TBDMS,isomer #4CN(C)C(=N)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)C2567.7Standard polar33892256
1,1-Dimethylbiguanide,5TBDMS,isomer #1CN(C)C(=N[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)C2787.1Semi standard non polar33892256
1,1-Dimethylbiguanide,5TBDMS,isomer #1CN(C)C(=N[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)C2665.1Standard non polar33892256
1,1-Dimethylbiguanide,5TBDMS,isomer #1CN(C)C(=N[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)C2502.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1,1-Dimethylbiguanide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9100000000-4cf43a0a5a8d4db19a462017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,1-Dimethylbiguanide 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 - 1,1-Dimethylbiguanide Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-001i-0900000000-9046e2aa0408a03960072012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-01qi-9700000000-a6b98d87cc840a0821792012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-00dr-9000000000-8e80f301bad0455404772012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-001i-0900000000-bd8aed328c944acd12702012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-03l9-9300000000-3d585674ffe84238e5bf2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-00di-9000000000-ee68820579ebe4d310822012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-00di-9000000000-4312e7e5e1b0dd9ef9362012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-00di-9000000000-053d63fe09a95fc1d5442012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QTOF , positive-QTOFsplash10-0229-9100000000-7fe999a9d1aaae3bbe532017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QTOF , positive-QTOFsplash10-001i-0900000000-c235cd5d0dda3f3c28d92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-QTOF , positive-QTOFsplash10-001i-0900000000-0fa445716bfc24131a752017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-001i-3900000000-dee37da326e6f0b2c56a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-001i-0900000000-45bd1f8c6d2dc4f389442017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-001i-1900000000-38f3dedb5c19900cdefb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-001i-7900000000-bf5d1092aa372c303d612017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-03l9-9300000000-06a99f0dff4b41a23cfa2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-022i-9100000000-811c9e7cf8b30b27c0f22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-00di-9000000000-d34b9b3ab9eb78317eba2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1,1-Dimethylbiguanide LC-ESI-ITFT , positive-QTOFsplash10-001i-0900000000-4d53ac0f7dfaf860e7842017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,1-Dimethylbiguanide 10V, Positive-QTOFsplash10-001i-6900000000-03a99ea4f96636a6d5e22017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,1-Dimethylbiguanide 20V, Positive-QTOFsplash10-0079-9000000000-24ee057ec9505ccf8d3d2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,1-Dimethylbiguanide 40V, Positive-QTOFsplash10-0229-9000000000-bc7faff99aaa83f5e6002017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,1-Dimethylbiguanide 10V, Negative-QTOFsplash10-000i-9300000000-e145cf58ec0f6be503ab2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,1-Dimethylbiguanide 20V, Negative-QTOFsplash10-000i-9100000000-0cc6d6ceac8192964ee42017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,1-Dimethylbiguanide 40V, Negative-QTOFsplash10-0006-9000000000-f47eab8fa0fd4177cfdd2017-07-26Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Erythrocyte
  • Liver
  • Skeletal Muscle
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified6.0 (0.0060-12.07) uMAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Associated OMIM IDs
DrugBank IDDB00331
Phenol Explorer Compound IDNot Available
FooDB IDFDB022739
KNApSAcK IDNot Available
Chemspider ID3949
KEGG Compound IDC07151
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMetformin
METLIN ID6390
PubChem Compound4091
PDB IDNot Available
ChEBI ID6801
Food Biomarker OntologyNot Available
VMH IDM02467
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Musi N, Hirshman MF, Nygren J, Svanfeldt M, Bavenholm P, Rooyackers O, Zhou G, Williamson JM, Ljunqvist O, Efendic S, Moller DE, Thorell A, Goodyear LJ: Metformin increases AMP-activated protein kinase activity in skeletal muscle of subjects with type 2 diabetes. Diabetes. 2002 Jul;51(7):2074-81. [PubMed:12086935 ]
  2. Bridger T, MacDonald S, Baltzer F, Rodd C: Randomized placebo-controlled trial of metformin for adolescents with polycystic ovary syndrome. Arch Pediatr Adolesc Med. 2006 Mar;160(3):241-6. [PubMed:16520442 ]
  3. Seale FG 4th, Robinson RD, Neal GS: Association of metformin and pregnancy in the polycystic ovary syndrome. A report of three cases. J Reprod Med. 2000 Jun;45(6):507-10. [PubMed:10900588 ]
  4. Briggs GG, Ambrose PJ, Nageotte MP, Padilla G, Wan S: Excretion of metformin into breast milk and the effect on nursing infants. Obstet Gynecol. 2005 Jun;105(6):1437-41. [PubMed:15932841 ]
  5. De Jager J, Kooy A, Lehert P, Bets D, Wulffele MG, Teerlink T, Scheffer PG, Schalkwijk CG, Donker AJ, Stehouwer CD: Effects of short-term treatment with metformin on markers of endothelial function and inflammatory activity in type 2 diabetes mellitus: a randomized, placebo-controlled trial. J Intern Med. 2005 Jan;257(1):100-9. [PubMed:15606381 ]
  6. Mughal MA, Jan M, Maheri WM, Memon MY, Ali M: The effect of metformin on glycemic control, serum lipids and lipoproteins in diet alone and sulfonylurea-treated type 2 diabetic patients with sub-optimal metabolic control. J Pak Med Assoc. 2000 Nov;50(11):381-6. [PubMed:11126815 ]
  7. Einhorn D, Rendell M, Rosenzweig J, Egan JW, Mathisen AL, Schneider RL: Pioglitazone hydrochloride in combination with metformin in the treatment of type 2 diabetes mellitus: a randomized, placebo-controlled study. The Pioglitazone 027 Study Group. Clin Ther. 2000 Dec;22(12):1395-409. [PubMed:11192132 ]
  8. Robert F, Fendri S, Hary L, Lacroix C, Andrejak M, Lalau JD: Kinetics of plasma and erythrocyte metformin after acute administration in healthy subjects. Diabetes Metab. 2003 Jun;29(3):279-83. [PubMed:12909816 ]
  9. Radziuk J, Pye S: Hepatic glucose uptake, gluconeogenesis and the regulation of glycogen synthesis. Diabetes Metab Res Rev. 2001 Jul-Aug;17(4):250-72. [PubMed:11544610 ]
  10. Morin-Papunen LC, Vauhkonen I, Koivunen RM, Ruokonen A, Martikainen HK, Tapanainen JS: Endocrine and metabolic effects of metformin versus ethinyl estradiol-cyproterone acetate in obese women with polycystic ovary syndrome: a randomized study. J Clin Endocrinol Metab. 2000 Sep;85(9):3161-8. [PubMed:10999803 ]
  11. Marathe PH, Wen Y, Norton J, Greene DS, Barbhaiya RH, Wilding IR: Effect of altered gastric emptying and gastrointestinal motility on metformin absorption. Br J Clin Pharmacol. 2000 Oct;50(4):325-32. [PubMed:11012555 ]
  12. Gore DC, Wolf SE, Sanford A, Herndon DN, Wolfe RR: Influence of metformin on glucose intolerance and muscle catabolism following severe burn injury. Ann Surg. 2005 Feb;241(2):334-42. [PubMed:15650645 ]
  13. Gillies PS, Dunn CJ: Pioglitazone. Drugs. 2000 Aug;60(2):333-43; discussion 344-5. [PubMed:10983737 ]
  14. Hale TW, Kristensen JH, Hackett LP, Kohan R, Ilett KF: Transfer of metformin into human milk. Diabetologia. 2002 Nov;45(11):1509-14. Epub 2002 Sep 25. [PubMed:12436333 ]
  15. Lalau JD, Lacroix C: Measurement of metformin concentration in erythrocytes: clinical implications. Diabetes Obes Metab. 2003 Mar;5(2):93-8. [PubMed:12630933 ]
  16. Kouki T, Takasu N, Nakachi A, Tamanaha T, Komiya I, Tawata M: Low-dose metformin improves hyperglycaemia related to myotonic dystrophy. Diabet Med. 2005 Mar;22(3):346-7. [PubMed:15717887 ]
  17. Magalhaes FO, Gouveia LM, Torquato MT, Paccola GM, Piccinato CE, Foss MC: Metformin increases blood flow and forearm glucose uptake in a group of non-obese type 2 diabetes patients. Horm Metab Res. 2006 Aug;38(8):513-7. [PubMed:16941277 ]
  18. Gore DC, Herndon DN, Wolfe RR: Comparison of peripheral metabolic effects of insulin and metformin following severe burn injury. J Trauma. 2005 Aug;59(2):316-22; discussion 322-3. [PubMed:16294070 ]
  19. Amador-Licona N, Guizar-Mendoza J, Vargas E, Sanchez-Camargo G, Zamora-Mata L: The short-term effect of a switch from glibenclamide to metformin on blood pressure and microalbuminuria in patients with type 2 diabetes mellitus. Arch Med Res. 2000 Nov-Dec;31(6):571-5. [PubMed:11257323 ]
  20. Carter D, Howlett HC, Wiernsperger NF, Bailey C: Effects of metformin on bile salt transport by monolayers of human intestinal Caco-2 cells. Diabetes Obes Metab. 2002 Nov;4(6):424-7. [PubMed:12406042 ]