Carbidopa

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Carbidopa are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Carbidopa?

The molecule Carbidopa presents a molecular formula of C10H14N2O4 and its IUPAC name is (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid.

Carbidopa is a molecule that is used to treat Parkinson's disease. It is a dopaminergic agent, meaning that it increases levels of dopamine in the brain. This can help to improve symptoms of Parkinson's disease, such as tremor, rigidity, and slowness of movement. Carbidopa is usually taken together with levodopa, another medication used to treat Parkinson's disease..

3D structure

Cartesian coordinates

Geometry of Carbidopa in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Carbidopa TZFNLOMSOLWIDK-JTQLQIEISA-N chemical compound 2D structure molecule svg
Carbidopa

 

Molecule descriptors

 
IUPAC name(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
InChI codeInChI=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
SMILESC[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (-)-L-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid
  • (2S)-3-(3,4-DIHYDROXYPHENYL)-2-HYDRAZINYL-2-METHYL-PROPANOIC ACID
  • (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propanoic acid
  • (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid
  • (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropionic acid monohydrate
  • (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
  • (S)-(-)-carbidopa
  • (S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropionic Acid
  • (S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
  • (S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoicacid
  • (S)-?-Hydrazino-?-methyl-?-(3,4-dihydroxyphenyl)propionic acid
  • (S)-carbidopa
  • (alphaS)-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoic acid
  • 1426847-87-1
  • 28860-95-9
  • 28860-95-9 (anhydrous)
  • 60C959
  • AB00441332-05
  • AB00441332-06
  • AB00441332_07
  • AB00441332_08
  • AC-1676
  • AS-16862
  • BC164279
  • BDBM50418773
  • Benzenepropanoic acid, .alpha.-hydrazino-3,4-dihydroxy-.alpha.-methyl-, (S)-
  • Benzenepropanoic acid, .alpha.-hydrazinyl-3,4-dihydroxy-.alpha.-methyl-, (.alpha.S)-
  • Benzenepropanoic acid, a-hydrazino-3,4-dihydroxy-a-methyl-
  • Benzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl-, (S)-
  • C-126
  • C-DOPA
  • CARBIDOPA, L- ANHYDROUS
  • CCG-204476
  • CCRIS 5093
  • Carbidopa
  • Carbidopa (anhydrous)
  • Carbidopa anhydrous
  • Carbidopum
  • DB00190
  • DSSTox_CID_2735
  • DSSTox_GSID_22735
  • DSSTox_RID_76707
  • EU-0100382
  • GTPL5159
  • HMS2089B12
  • HMS3266A20
  • HMS3411M13
  • HMS3655G20
  • HMS3675M13
  • HMS3713L10
  • HMS3884M14
  • HY-B0311
  • HYDROCINNAMIC ACID, alpha-HYDRAZINO-3,4-DIHYDROXY-alpha-METHYL-, L-
  • Hadrazino-alpha-methyldopa
  • KINSON; 3-(3,4-DIHYDROXY-PHENYL)-2-HYDRAZINO-2-METHYL-PROPIONIC ACID
  • KR87B45RGH
  • L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acid
  • L-alpha-Methyl-alpha-hydrazino-beta-(3,4-dihydroxyphenylpropionic acid
  • L-alpha-Methyl-beta-(3,4-dihydroxyphenyl)-alpha-hydrazinopropionic acid
  • L-alpha-Methyldopahydrazine
  • Lodosyn
  • Lopac0_000382
  • MFCD00069231
  • MK 486
  • MLS-0072919
  • MLS-0072919.P013
  • MLS000069628
  • MLS002207014
  • N-Aminomethyldopa
  • NCGC00024596-01
  • NCGC00024596-03
  • NCGC00024596-05
  • NCGC00024596-06
  • NCGC00024596-07
  • NCGC00024596-08
  • ND0611
  • NSC751137
  • S(-)-CARBIDOPA
  • S-(-)-Carbidopa
  • S-(-)-Carbidopa monohydrate
  • SDCCGMLS-0072919.P025
  • SMP1_000057
  • SMR000058235
  • SR-01000597655
  • SR-01000597655-1
  • SR-01000597655-3
  • SR-01000597655-5
  • SR-01000597655-9
  • SW199080-2
  • Tocris-0455
  • alpha-Hydrazino-alpha-methyl-beta-(3,4-dihydroxyphenyl)propionic acid
  • alpha-Methyldopahydrazine
  • carbidopa
  • s1891

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC19168887
  • CAS-28860-95-9
  • UNII-KR87B45RGH
  • AKOS015969657
  • BRD-K78712176-001-07-5
  • DTXSID4022735
  • CHEMBL1201236
  • CHEBI:39585
  • Tox21_110910
  • EINECS 249-271-9
  • SCHEMBL35084

Physico-Chemical properties

IUPAC name(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Molecular formulaC10H14N2O4
Molecular weight226.229
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity57.19
LogP1.0
Topological polar surface area115.8

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.