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(±) -Vigabatrin

CAT: 0926-FV61480-04Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FV61480-04Size:5 g
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CAS Number
68506-86-5
MDL Number
MFCD00274577
Smiles
C=CC (CCC (=O) O) N
Molecular Formula
C6H11NO2
Molecular Weight
129.16 g/mol
Controlled
No

Chemical Information

Vigabatrin

Vigabatrin is a gamma-amino acid having a gamma-vinyl GABA structure. It is an irreversible inhibitor of gamma-aminobutyric 664 acid transaminase. It has a role as an anticonvulsant and an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor.

CAS Number68506-86-5
PubChem CID5665
IUPAC Name4-aminohex-5-enoic acid
Molecular FormulaC6H11NO2
Molecular Weight129.16
XLogP-2.2
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity112
SMILES
C=CC(CCC(=O)O)N
InChI
InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChIKey
PJDFLNIOAUIZSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vigabatrin
CAS: 68506-86-5
CID: 5665
Formula: C6H11NO2
MW: 129.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.16
XLogP3-2.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass129.078978594
Monoisotopic Mass129.078978594
Topological Polar Surface Area63.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6653-50Vigabatrin

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