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S (-) -Carbidopa

CAT: 0024-sc-200749ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-200749ASize:100 mg
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CAS Number
28860-95-9

Chemical Information

Carbidopa

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 antiparkinson drug, a dopaminergic agent and an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor. It is a member of hydrazines, a monocarboxylic acid and a member of catechols.

CAS Number28860-95-9
PubChem CID34359
IUPAC Name(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Molecular FormulaC10H14N2O4
Molecular Weight226.23
XLogP-2.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity261
SMILES
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN
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
InChIKey
TZFNLOMSOLWIDK-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Carbidopa
CAS: 28860-95-9
CID: 34359
Formula: C10H14N2O4
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass226.09535693
Monoisotopic Mass226.09535693
Topological Polar Surface Area116 Ų
Heavy Atom Count16
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes