Basic information
- CAS
56187-89-4- Standard SMILES
CC(C(=O)O)c1ccc(C2CCCC(=NO)C2)cc1- InChIKey
IQPPOXSMSDPZKU-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Overview
Ximoprofen is a monocarboxylic acid that is 2-phenylpropionic acid in which the phenyl group is substituted at the para position by a 3-(hydroxyimino)cyclohexyl group. It has a role as a non-steroidal anti-inflammatory drug. It is a ketoxime and a monocarboxylic acid. It is functionally related to a hydratropic acid.
Names & identifiers
- Preferred name
- Ximoprofen
- IUPAC
- 2-[4-(3-hydroxyiminocyclohexyl)phenyl]propanoic acid
Names & synonyms
XimoprofenXimoprofeneXimoprofenoXimoprofenump-(3-Oxocyclohexyl)hydratropic acid oxime56187-89-4YFD6WRV4J14-(3-Hydroxyiminocyclohexyl)hydratropasaeureCHEBI:485212-(4-(3-oximinocyclohexyl)phenyl)propionic acid2-{4-[3-(hydroxyimino)cyclohexyl]phenyl}propanoic acidBenzeneacetic acid, 4-(3-(hydroxyimino)cyclohexyl)-alpha-methyl-
Show more names
2-(4-(3-(hydroxyimino)cyclohexyl)phenyl)propanoic acidDTXSID40874686RefChem:195362DTXCID501012811260-041-7Ximoprofen [INN]2-[4-(3-hydroxyiminocyclohexyl)phenyl]propanoic acid2-(4-(3-Hydroxyiminocyclohexyl)phenyl)propionsaeure
Database identifiers
- CAS
56187-89-4- PubChem CID
- 68756
- ChEMBL
CHEMBL4297164- ChEBI
CHEBI:48521- UNII
- YFD6WRV4J1
- EC Number
- 260-041-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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