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Carbidopa
CAS: 28860-95-9 | C10H14N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
28860-95-9
Molecular Formula:
C10H14N2O4
Molecular Mass:
226.23 g/mol
Names and Synonyms:
Carbidopa
Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (S)-
Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (αS)-
(αS)-α-Hydrazinyl-3,4-dihydroxy-α-methylbenzenepropanoic acid
L-α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid
MK 486
L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acid
L-α-Methyl-α-hydrazino-β-(3,4-dihydroxyphenyl)propionic acid
L-α-Methyl-β-(3,4-dihydroxyphenyl)-α-hydrazinopropionic acid
L-α-Methyldopahydrazine
Carbidopa
(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acid monohydrate
L-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid
1-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid
(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinamic acid
α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid
α-Methyldopahydrazine
Hydrazino-α-methyldopa
L-α-Hydrazino-α-methyl-3,4-dihydroxyphenylpropionic acid
L-α-Methyl-α-hydrazino-3,4-dihydroxyphenylpropionic acid
N-Aminomethyldopa
L-α-Hydrazino-3,4-dihydroxy-α-methylbenzenepropanoic acid
Lodosyn
HMD
Lodosin
(S)-Carbidopa
L-Carbidopa
(2S)-2-(Aminoazaniumyl)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
(2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Cabidopa
Benzenepropanoic acid, α-hydrazinyl-3,4-dihydroxy-α-methyl-, (αS)-
Hydrocinnamic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, L-
Identifiers:
SMILES:
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
InChI:
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
Key Properties
Melting Point
208 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.23 g/mol | CAS Common Chemistry |
| 226.232 g/mol | RDKit | |
| 226.095356928 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NN)(C)CC1=CC=C(O)C(O)=C1 | CAS Common Chemistry |
| InChI | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=TZFNLOMSOLWIDK-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | Carbidopa | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 115.81000000000002 Ų | RDKit |
| LogP | -0.05310000000000015 | RDKit |
| Molar Refractivity | 56.839500000000015 | RDKit |
