Carbidopa monohydrate

Chemical Information
Carbidopa is the hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa. It has a role as an antiparkinson drug, a dopaminergic agent, an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor and an antidyskinesia agent. It is a member of hydrazines, a monocarboxylic acid, a member of catechols and a hydrate. It contains a carbidopa (anhydrous).
| CAS Number | 38821-49-7 |
| PubChem CID | 38101 |
| IUPAC Name | (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate |
| Molecular Formula | C10H16N2O5 |
| Molecular Weight | 244.24 |
| Topological Polar Surface Area | 117 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 261 |
| Property | Value |
|---|---|
| Molecular Weight | 244.24 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 244.10592162 |
| Monoisotopic Mass | 244.10592162 |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 261 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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