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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2021-09-14 15:20:33 UTC
HMDB IDHMDB0014336
Secondary Accession Numbers
  • HMDB14336
Metabolite Identification
Common NameCarbidopa
DescriptionCarbidopa is only found in individuals that have used or taken this drug. It is an inhibitor of DOPA decarboxylase, preventing conversion of levodopa to dopamine. It is used in parkinson disease to reduce peripheral adverse effects of levodopa. It has no antiparkinson actions by itself. [PubChem]When mixed with levodopa, carbidopa inhibits the peripheral conversion of levodopa to dopamine and the decarboxylation of oxitriptan to serotonin by aromatic L-amino acid decarboxylase. This results in increased amount of levodopa and oxitriptan available for transport to the CNS. Carbidopa also inhibits the metabolism of levodopa in the GI tract, thus, increasing the bioavailability of levodopa.
Structure
Data?1582753166
Synonyms
ValueSource
(-)-L-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acidChEBI
(AlphaS)-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoic acidChEBI
(S)-(-)-CarbidopaChEBI
(S)-CarbidopaChEBI
CarbidopumChEBI
L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acidChEBI
L-alpha-MethyldopahydrazineChEBI
(-)-L-a-Hydrazino-3,4-dihydroxy-a-methylhydrocinnamateGenerator
(-)-L-a-Hydrazino-3,4-dihydroxy-a-methylhydrocinnamic acidGenerator
(-)-L-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamateGenerator
(-)-L-Α-hydrazino-3,4-dihydroxy-α-methylhydrocinnamateGenerator
(-)-L-Α-hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acidGenerator
(AlphaS)-a-hydrazino-3,4-dihydroxy-a-methylbenzenepropanoateGenerator
(AlphaS)-a-hydrazino-3,4-dihydroxy-a-methylbenzenepropanoic acidGenerator
(AlphaS)-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoateGenerator
(AlphaS)-α-hydrazino-3,4-dihydroxy-α-methylbenzenepropanoateGenerator
(AlphaS)-α-hydrazino-3,4-dihydroxy-α-methylbenzenepropanoic acidGenerator
L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionateGenerator
L-a-MethyldopahydrazineGenerator
L-Α-methyldopahydrazineGenerator
LodosinHMDB
Carbidopa, (R)-isomerHMDB
Carbidopa, (S)-isomerHMDB
LodosynHMDB
MethyldopahydrazineHMDB
CarbidopaMeSH
Chemical FormulaC10H14N2O4
Average Molecular Weight226.2292
Monoisotopic Molecular Weight226.095356946
IUPAC Name(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Traditional Namecarbidopa
CAS Registry Number28860-95-9
SMILES
C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O
InChI Identifier
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
InChI KeyTZFNLOMSOLWIDK-JTQLQIEISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassPhenylpropanoic acids
Sub ClassNot Available
Direct ParentPhenylpropanoic acids
Alternative Parents
Substituents
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Phenylpropane
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Alkylhydrazine
  • Monocarboxylic acid or derivatives
  • Organopnictogen compound
  • Hydrazine derivative
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • 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 Point203 - 205 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-1.9Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available142.36http://allccs.zhulab.cn/database/detail?ID=AllCCS00001403
Predicted Molecular Properties
PropertyValueSource
logP10(-0.16) g/LALOGPS
logP10(-1.2) g/LChemAxon
logS10(-1.8) g/LALOGPS
pKa (Strongest Acidic)2.35ChemAxon
pKa (Strongest Basic)5.66ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area115.81 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity68.77 m³·mol⁻¹ChemAxon
Polarizability21.81 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+149.36430932474
DeepCCS[M-H]-146.96930932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CarbidopaC[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O3627.5Standard polar33892256
CarbidopaC[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O2377.6Standard non polar33892256
CarbidopaC[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O2230.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Carbidopa,1TMS,isomer #1C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN)C(=O)O2231.7Semi standard non polar33892256
Carbidopa,1TMS,isomer #2C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN)C(=O)O2259.2Semi standard non polar33892256
Carbidopa,1TMS,isomer #3C[C@@](CC1=CC=C(O)C(O)=C1)(NN)C(=O)O[Si](C)(C)C2288.2Semi standard non polar33892256
Carbidopa,1TMS,isomer #4C[C@@](CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C)C(=O)O2331.5Semi standard non polar33892256
Carbidopa,1TMS,isomer #5C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C2323.9Semi standard non polar33892256
Carbidopa,2TMS,isomer #1C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN)C(=O)O2233.3Semi standard non polar33892256
Carbidopa,2TMS,isomer #10C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C2397.5Semi standard non polar33892256
Carbidopa,2TMS,isomer #11C[C@@](CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2493.6Semi standard non polar33892256
Carbidopa,2TMS,isomer #2C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C2151.4Semi standard non polar33892256
Carbidopa,2TMS,isomer #3C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O2222.4Semi standard non polar33892256
Carbidopa,2TMS,isomer #4C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C2279.1Semi standard non polar33892256
Carbidopa,2TMS,isomer #5C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN)C(=O)O[Si](C)(C)C2186.4Semi standard non polar33892256
Carbidopa,2TMS,isomer #6C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O2248.7Semi standard non polar33892256
Carbidopa,2TMS,isomer #7C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C2305.7Semi standard non polar33892256
Carbidopa,2TMS,isomer #8C[C@@](CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C2262.1Semi standard non polar33892256
Carbidopa,2TMS,isomer #9C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C2300.1Semi standard non polar33892256
Carbidopa,3TMS,isomer #1C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C2186.6Semi standard non polar33892256
Carbidopa,3TMS,isomer #10C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C2362.8Semi standard non polar33892256
Carbidopa,3TMS,isomer #11C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2434.0Semi standard non polar33892256
Carbidopa,3TMS,isomer #12C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2337.7Semi standard non polar33892256
Carbidopa,3TMS,isomer #13C[C@@](CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2440.8Semi standard non polar33892256
Carbidopa,3TMS,isomer #14C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2568.3Semi standard non polar33892256
Carbidopa,3TMS,isomer #2C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O2234.7Semi standard non polar33892256
Carbidopa,3TMS,isomer #3C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C2301.2Semi standard non polar33892256
Carbidopa,3TMS,isomer #4C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C2173.3Semi standard non polar33892256
Carbidopa,3TMS,isomer #5C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C2241.5Semi standard non polar33892256
Carbidopa,3TMS,isomer #6C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C2348.8Semi standard non polar33892256
Carbidopa,3TMS,isomer #7C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2410.4Semi standard non polar33892256
Carbidopa,3TMS,isomer #8C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C2187.6Semi standard non polar33892256
Carbidopa,3TMS,isomer #9C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C2262.7Semi standard non polar33892256
Carbidopa,4TMS,isomer #1C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C2231.3Semi standard non polar33892256
Carbidopa,4TMS,isomer #1C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C2200.3Standard non polar33892256
Carbidopa,4TMS,isomer #1C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C2378.9Standard polar33892256
Carbidopa,4TMS,isomer #10C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2549.6Semi standard non polar33892256
Carbidopa,4TMS,isomer #10C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2395.6Standard non polar33892256
Carbidopa,4TMS,isomer #10C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2692.6Standard polar33892256
Carbidopa,4TMS,isomer #11C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2554.0Semi standard non polar33892256
Carbidopa,4TMS,isomer #11C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2402.3Standard non polar33892256
Carbidopa,4TMS,isomer #11C[C@](CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2574.2Standard polar33892256
Carbidopa,4TMS,isomer #2C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C2310.2Semi standard non polar33892256
Carbidopa,4TMS,isomer #2C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C2284.1Standard non polar33892256
Carbidopa,4TMS,isomer #2C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C3075.8Standard polar33892256
Carbidopa,4TMS,isomer #3C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C2386.2Semi standard non polar33892256
Carbidopa,4TMS,isomer #3C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C2262.0Standard non polar33892256
Carbidopa,4TMS,isomer #3C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C2594.5Standard polar33892256
Carbidopa,4TMS,isomer #4C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2427.4Semi standard non polar33892256
Carbidopa,4TMS,isomer #4C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2301.5Standard non polar33892256
Carbidopa,4TMS,isomer #4C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2638.5Standard polar33892256
Carbidopa,4TMS,isomer #5C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2336.8Semi standard non polar33892256
Carbidopa,4TMS,isomer #5C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2316.3Standard non polar33892256
Carbidopa,4TMS,isomer #5C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2550.1Standard polar33892256
Carbidopa,4TMS,isomer #6C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2397.6Semi standard non polar33892256
Carbidopa,4TMS,isomer #6C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2357.5Standard non polar33892256
Carbidopa,4TMS,isomer #6C[C@@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2569.1Standard polar33892256
Carbidopa,4TMS,isomer #7C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2540.0Semi standard non polar33892256
Carbidopa,4TMS,isomer #7C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2410.5Standard non polar33892256
Carbidopa,4TMS,isomer #7C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2729.2Standard polar33892256
Carbidopa,4TMS,isomer #8C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2348.4Semi standard non polar33892256
Carbidopa,4TMS,isomer #8C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2292.5Standard non polar33892256
Carbidopa,4TMS,isomer #8C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2519.0Standard polar33892256
Carbidopa,4TMS,isomer #9C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2413.4Semi standard non polar33892256
Carbidopa,4TMS,isomer #9C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2333.3Standard non polar33892256
Carbidopa,4TMS,isomer #9C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2537.3Standard polar33892256
Carbidopa,5TMS,isomer #1C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2421.3Semi standard non polar33892256
Carbidopa,5TMS,isomer #1C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2294.0Standard non polar33892256
Carbidopa,5TMS,isomer #1C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2378.6Standard polar33892256
Carbidopa,5TMS,isomer #2C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2474.8Semi standard non polar33892256
Carbidopa,5TMS,isomer #2C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2318.5Standard non polar33892256
Carbidopa,5TMS,isomer #2C[C@@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2406.1Standard polar33892256
Carbidopa,5TMS,isomer #3C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2598.4Semi standard non polar33892256
Carbidopa,5TMS,isomer #3C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2381.7Standard non polar33892256
Carbidopa,5TMS,isomer #3C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2500.0Standard polar33892256
Carbidopa,5TMS,isomer #4C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2584.5Semi standard non polar33892256
Carbidopa,5TMS,isomer #4C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2450.2Standard non polar33892256
Carbidopa,5TMS,isomer #4C[C@](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2449.9Standard polar33892256
Carbidopa,5TMS,isomer #5C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2596.1Semi standard non polar33892256
Carbidopa,5TMS,isomer #5C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2426.9Standard non polar33892256
Carbidopa,5TMS,isomer #5C[C@](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2415.4Standard polar33892256
Carbidopa,6TMS,isomer #1C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2701.9Semi standard non polar33892256
Carbidopa,6TMS,isomer #1C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2431.2Standard non polar33892256
Carbidopa,6TMS,isomer #1C[C@](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2319.6Standard polar33892256
Carbidopa,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C[C@](C)(NN)C(=O)O)=CC=C1O2518.8Semi standard non polar33892256
Carbidopa,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@](C)(NN)C(=O)O)C=C1O2533.9Semi standard non polar33892256
Carbidopa,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O)=C1)NN2558.0Semi standard non polar33892256
Carbidopa,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O)C(O)=C1)C(=O)O2601.0Semi standard non polar33892256
Carbidopa,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(N)[C@@](C)(CC1=CC=C(O)C(O)=C1)C(=O)O2595.2Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)NN2694.3Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(N[C@@](C)(CC1=CC=C(O)C(O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C2925.3Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O)C(O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C2899.7Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@](C)(NN)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C2769.8Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O2793.4Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C[C@@](C)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C)=CC=C1O2807.3Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)NN2735.1Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O2819.0Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C)C=C1O2827.9Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C2807.3Semi standard non polar33892256
Carbidopa,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O)=C1)N(N)[Si](C)(C)C(C)(C)C2817.9Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)NN2891.5Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@](C)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O3159.5Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C3113.0Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3105.5Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3065.4Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@](C)(CC1=CC=C(O)C(O)=C1)C(=O)O3221.2Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C2917.0Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)N(N)[Si](C)(C)C(C)(C)C2943.0Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O2980.2Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C3036.5Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C[C@](C)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O3133.5Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O)[Si](C)(C)C(C)(C)C3096.3Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C2953.6Semi standard non polar33892256
Carbidopa,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)N(N)[Si](C)(C)C(C)(C)C2972.8Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C3137.8Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C2939.8Standard non polar33892256
Carbidopa,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NN[C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C2815.2Standard polar33892256
Carbidopa,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O3447.1Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O3097.5Standard non polar33892256
Carbidopa,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O2982.0Standard polar33892256
Carbidopa,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3369.9Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3126.5Standard non polar33892256
Carbidopa,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2867.5Standard polar33892256
Carbidopa,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)N(N)[Si](C)(C)C(C)(C)C3183.3Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)N(N)[Si](C)(C)C(C)(C)C3049.1Standard non polar33892256
Carbidopa,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)N(N)[Si](C)(C)C(C)(C)C3346.5Standard polar33892256
Carbidopa,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3287.9Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3071.3Standard non polar33892256
Carbidopa,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2897.7Standard polar33892256
Carbidopa,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3216.8Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3059.1Standard non polar33892256
Carbidopa,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2917.4Standard polar33892256
Carbidopa,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@](C)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C3341.5Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@](C)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C3005.0Standard non polar33892256
Carbidopa,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@](C)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C2956.3Standard polar33892256
Carbidopa,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O)[Si](C)(C)C(C)(C)C3301.3Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O)[Si](C)(C)C(C)(C)C2980.1Standard non polar33892256
Carbidopa,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O)[Si](C)(C)C(C)(C)C2954.2Standard polar33892256
Carbidopa,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C1O3438.9Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C1O3112.6Standard non polar33892256
Carbidopa,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C1O3013.2Standard polar33892256
Carbidopa,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3312.0Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3054.7Standard non polar33892256
Carbidopa,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2865.5Standard polar33892256
Carbidopa,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3237.5Semi standard non polar33892256
Carbidopa,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3041.4Standard non polar33892256
Carbidopa,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2887.0Standard polar33892256
Carbidopa,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3536.4Semi standard non polar33892256
Carbidopa,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3180.1Standard non polar33892256
Carbidopa,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2849.5Standard polar33892256
Carbidopa,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3458.8Semi standard non polar33892256
Carbidopa,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3175.3Standard non polar33892256
Carbidopa,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NN([C@@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2867.8Standard polar33892256
Carbidopa,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3642.6Semi standard non polar33892256
Carbidopa,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3298.1Standard non polar33892256
Carbidopa,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2905.0Standard polar33892256
Carbidopa,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C3673.8Semi standard non polar33892256
Carbidopa,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C3229.0Standard non polar33892256
Carbidopa,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@](C)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C2937.6Standard polar33892256
Carbidopa,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3653.3Semi standard non polar33892256
Carbidopa,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3285.6Standard non polar33892256
Carbidopa,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@](C)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2874.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Carbidopa GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 10V, Positive-QTOFsplash10-0059-0980000000-f4aca4a185059362dadd2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 20V, Positive-QTOFsplash10-001i-0900000000-2f941cf7f7d49b1caefc2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 40V, Positive-QTOFsplash10-0229-4900000000-fac3bc9d4b9d53b9abc72016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 10V, Negative-QTOFsplash10-004i-1690000000-67f97c0c2d2205cf00662016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 20V, Negative-QTOFsplash10-0ugi-3910000000-a2228e074afa13d25fff2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 40V, Negative-QTOFsplash10-0f6t-2900000000-7db6ff075a07e0488f952016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 10V, Negative-QTOFsplash10-01si-0910000000-bda3c1f377846ab5976d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 20V, Negative-QTOFsplash10-0002-2900000000-7cf8eca30b1c42cf3cae2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 40V, Negative-QTOFsplash10-00di-7900000000-8f2600bec3907643cf6e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 10V, Positive-QTOFsplash10-003r-0950000000-d304dfb158072a55b9db2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 20V, Positive-QTOFsplash10-00e9-2900000000-eaccc21f6f8038d9897c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbidopa 40V, Positive-QTOFsplash10-05fr-9400000000-94536afed8baecf9b7f62021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
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
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00190 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00190 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00190
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID31640
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCarbidopa
METLIN IDNot Available
PubChem Compound34359
PDB IDNot Available
ChEBI ID39585
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Vickers S, Stuart EK, Hucker HB: Further studies on the metabolism of carbidopa, (minus)-L-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoic acid monohydrate, in the human, Rhesus monkey, dog, and rat. J Med Chem. 1975 Feb;18(2):134-8. [PubMed:804550 ]
  2. Vickers S, Stuart EK, Bianchine JR, Hucker HB, Jaffe ME, Rhodes RE, Vandenheuvel WJ: Metabolism of carbidopa (1-(-)-alpha-hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate), an aromatic amino acid decarboxylase inhibitor, in the rat, rhesus monkey, and man. Drug Metab Dispos. 1974 Jan-Feb;2(1):9-22. [PubMed:4150141 ]

Enzymes

General function:
Involved in carboxy-lyase activity
Specific function:
Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine, L-5-hydroxytryptophan to serotonin and L-tryptophan to tryptamine.
Gene Name:
DDC
Uniprot ID:
P20711
Molecular weight:
53893.755
References
  1. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
  2. Durso R, Evans JE, Josephs E, Szabo G, Evans B, Fernandez HH, Browne TR: Variable absorption of carbidopa affects both peripheral and central levodopa metabolism. J Clin Pharmacol. 2000 Aug;40(8):854-60. [PubMed:10934669 ]
  3. Yee RE, Cheng DW, Huang SC, Namavari M, Satyamurthy N, Barrio JR: Blood-brain barrier and neuronal membrane transport of 6-[18F]fluoro-L-DOPA. Biochem Pharmacol. 2001 Nov 15;62(10):1409-15. [PubMed:11709201 ]
  4. Kaufmann H, Saadia D, Voustianiouk A, Goldstein DS, Holmes C, Yahr MD, Nardin R, Freeman R: Norepinephrine precursor therapy in neurogenic orthostatic hypotension. Circulation. 2003 Aug 12;108(6):724-8. Epub 2003 Jul 28. [PubMed:12885750 ]
  5. Orlefors H, Sundin A, Lu L, Oberg K, Langstrom B, Eriksson B, Bergstrom M: Carbidopa pretreatment improves image interpretation and visualisation of carcinoid tumours with 11C-5-hydroxytryptophan positron emission tomography. Eur J Nucl Med Mol Imaging. 2006 Jan;33(1):60-5. Epub 2005 Sep 24. [PubMed:16184369 ]
  6. Calabrese V, Mancuso C, Ravagna A, Perluigi M, Cini C, De Marco C, Butterfield DA, Stella AM: In vivo induction of heat shock proteins in the substantia nigra following L-DOPA administration is associated with increased activity of mitochondrial complex I and nitrosative stress in rats: regulation by glutathione redox state. J Neurochem. 2007 May;101(3):709-17. Epub 2007 Jan 4. [PubMed:17241115 ]
  7. Gilbert JA, Frederick LM, Ames MM: The aromatic-L-amino acid decarboxylase inhibitor carbidopa is selectively cytotoxic to human pulmonary carcinoid and small cell lung carcinoma cells. Clin Cancer Res. 2000 Nov;6(11):4365-72. [PubMed:11106255 ]