Progabide acid
Basic information
- CAS
62665-97-8- Standard SMILES
O=C(O)CCCN=C(c1ccc(Cl)cc1)c1cc(F)ccc1O- InChIKey
RRAXPPHKWFOGGL-UHFFFAOYSA-N- Molecular formula
- C17H15ClFNO3
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0724492
Names & identifiers
- Preferred name
- Progabide acid
- IUPAC
- 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoic acid
Names & synonyms
progabide acid62665-97-8UNII-74JC6VM0KD74JC6VM0KDSL-75-102-004-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoic acidButanoic acid, 4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)-TimTec1_000149progabideacidCHEMBL1205861SCHEMBL31574662DTXSID601045742
Show more names
HMS1534G17MCA66597AKOS024273567NCGC00175418-01ST000824Q27266278(5E)-6-(4-chlorophenyl)-6-(5-fluoro-2-hydroxyphenyl)-5-azahex-5-enoic acid4-{[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)-methylene]amino}butyric acid
Database identifiers
- CAS
62665-97-8- PubChem CID
- 44114
- DTXSID
DTXSID601045742- ChEMBL
CHEMBL1205861- UNII
- 74JC6VM0KD
- Nikkaji
- J324.093B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
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Related reactions
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Compound notes
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