(+)-Carprofen
Basic information
- CAS
52263-84-0- Standard SMILES
C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12- InChIKey
PUXBGTOOZJQSKH-QMMMGPOBSA-N- Molecular formula
- C15H12ClNO2
- Average molar mass
- 273.71 g/mol
- Monoisotopic mass
- 273.0556563
Overview
(S)-carprofen is the (S)-(+)-enantiomer of carprofen. It is an enantiomer of a (R)-carprofen.
Names & identifiers
- Preferred name
- (+)-Carprofen
- IUPAC
- (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
- English name
- (S)-α-Methyl-6-chloro-9H-carbazole-2-acetic acid
- Molecular formula
- C15H12ClNO2
- Molecular weight
- 273.71
Names & synonyms
52263-84-0(+)-carprofenDTXSID70349877RefChem:1048928DTXCID10300947(S)-Carprofen(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid(S)-(+)-carprofen(S)-2-(6-Chloro-9H-carbazol-2-yl)propanoic acidCHEMBL2171249(S)-6-chloro-alpha-methylcarbazole-2-acetic acid(S)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid
Show more names
C 8012(S)-α-Methyl-6-chloro-9H-carbazole-2-acetic acid(S)-6-Chloro-α-methyl-9H-carbazole-2-acetic acid9H-Carbazole-2-acetic acid, 6-chloro-α-methyl-, (αS)-
(S)-2-(6-chloro-9H-carbazol-2-yl)-propionic acid4mjr0LA4do3SCHEMBL3698103SCHEMBL30910972SCHEMBL30910975CHEBI:59207
Database identifiers
- CAS
52263-84-0- PubChem CID
- 667685
- DTXSID
DTXSID70349877- ChEMBL
CHEMBL2171249- ChEBI
CHEBI:59207- Nikkaji
- J291.248A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 509.133 · 509.133±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.841 · 4.841±0.30(predicted)
- color
- White
Chemistry & industry
Applications
UsesThe S-enantiomer of the antiinflammatory drug Carprofen
Additional notes
DefinitionChEBI: (S)-carprofen is the (S)-(+)-enantiomer of carprofen. It is an enantiomer of a (R)-carprofen.
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Compound notes
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