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28860-95-9

28860-95-9 structural image
Product Name: S-(-)-Carbidopa
Formula: C10H14N2O4
Synonyms: (S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid;S-(−)-α-Hydrazino-3,4-dihydroxy-2-methylbenzenepropanoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point Decomposes
Melting Point 203-208 °C
Solubility 3.8 mg/L
LogP -1.9
Dissociation Constants 2.3
Collision Cross Section 142.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 226.23 g/mol
XLogP3 -2.2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 226.09535693 g/mol
Monoisotopic Mass 226.09535693 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 16
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Carbidopa (anhydrous) is 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 (commonly as its hydrate) in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa. It has a role as an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor, an antiparkinson drug and a dopaminergic agent. It is a member of hydrazines, a monocarboxylic acid and a member of catechols.

RELATED SUPPLIERS

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