Basic information
- Standard SMILES
CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O- InChIKey
TZFNLOMSOLWIDK-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Overview
3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid is a member of benzenes and a monocarboxylic acid.
Names & identifiers
- Preferred name
- alpha-Hydrazinyl-3,4-dihydroxy-alpha-methylbenzenepropanoic acid
- IUPAC
- 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
- English name
- D,L Carbidopa
- Molecular formula
- C10H14N2O4
- Molecular weight
- 226.23
Names & synonyms
302-53-4dl-CarbidopaCarbidopa, dl-Carbidopa anhydrous, DL-555UP07D5NNSC-92521dl-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acidBenzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl-Carbidopa DL-Carbidopa, DL-anhydrousRefChem:1076509alpha-Hydrazinyl-3,4-dihydroxy-alpha-methylbenzenepropanoic acid
Show more names
DL-α-MDHNSC 92521Carbidopa 13C D513C-rac-Carbidopaα-Methylhydrazinodopaα-Hydrazino-α-methyldopaa-Hydrazino-a-methyldopaDL-α-Hydrazino-α-methyldopa13C,2H3]-Carbidopa trifluoroacetate salt
D,L-Carbidopa3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acidCarbidopa, dl- anhydrousCarbidopa DL-form [MI]dl-MK 48514585-65-0S(-)-CARBIDOPAMFCD02114422
Database identifiers
- CAS
14585-65-0、302-53-4、38821-49-7- PubChem CID
- 2563
- DTXSID
DTXSID80860427- ChEMBL
CHEMBL1179357- ChEBI
CHEBI:94430- UNII
- 555UP07D5N
- Nikkaji
- J27.602B
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
DrugsPharmaceuticals
Dissociation Constants3.5
Physicochemical properties
- Melting point
- 203 · 203-206°C
- Boiling point
- 528.7 · 528.7±50.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated), Water (Slightly)
- form
- Solid
- pka
- 3.4 · 3.40±0.14(Predicted)
- color
- Pale Yellow to Grey
- Stability
- Hygroscopic
- CAS DataBase Reference
- 302 · 302-53-4
- FDA UNII
- 555 UP07D5N · 555UP07D5N
- HS Code
- 29280000 · 29280000
Safety & regulation
Safety data
- hs_code
- 29280000
Chemistry & industry
Applications
UsesAn inhibitor of aromatic amino acid decarboxylase.
Suppliers15 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid is a monocarboxylic acid and a member of benzenes.
Related reactions
3 records
Linked notes
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