(R)-Vigabatrin
Basic information
- CAS
77162-51-7- Standard SMILES
C=C[C@H](N)CCC(=O)O- InChIKey
PJDFLNIOAUIZSL-YFKPBYRVSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- (R)-Vigabatrin
- IUPAC
- (4R)-4-aminohex-5-enoic acid
- English name
- R(-)-GAMMA-VINYL GABA
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
(R)-VigabatrinRefChem:40746577162-51-7(4R)-4-aminohex-5-enoic acid(R)-4-Aminohex-5-enoic acidR-(-)-Vigabatrin(R)-(-)-VigabatrinMFCD002740775-Hexenoic acid, 4-amino-, (4R)-ODN92S847A(4R)-4-azaniumylhex-5-enoateCHEMBL1361446
Show more names
ent-Vigabatrinr(-)-γ-vinyl gabaR(-)-V-VINYL GABAR(-)-GAMMA-VINYL GABA
R-VigabatrinVigabatrin, (R)-(-)-gamma-Vinyl GABARMI 71894UNII-ODN92S847ATocris-0808Lopac-V-8261(R)-4-Aminohex-5-enoicacid
Database identifiers
- CAS
77162-51-7- PubChem CID
- 157018
- DTXSID
DTXSID30227925- ChEMBL
CHEMBL1361446- UNII
- ODN92S847A
- EC Number
- 636-088-8
- Nikkaji
- J323.105D
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 169 · 169-170 °C
- FDA UNII
- 92 S847A · ODN92S847A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesThe R-enantiomer of Vigabatrin, a novel antiepileptic drug. Antidepressant; antipsychotic; anxiolytic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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