carprofen   

GtoPdb Ligand ID: 7141

Synonyms: Ro-205720000
carprofen is an approved drug
Compound class: Synthetic organic
Comment: Carprofen is a non-steroidal anti-inflammatory drug (NSAID), although it is no longer marketed for human use and now seems to be used exclusively by vets.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 53.09
Molecular weight 273.06
XLogP 3.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C
Isomeric SMILES OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C
InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChI Key PUXBGTOOZJQSKH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name
2-(6-chloro-9H-carbazol-2-yl)propanoic acid
International Nonproprietary Names
INN number INN
3980 carprofen
Synonyms
Ro-205720000
Database Links
CAS Registry No. 53716-49-7
ChEMBL Ligand CHEMBL1316
DrugBank Ligand DB00821
DrugCentral Ligand 518
GtoPdb PubChem SID 178103717
PubChem CID 2581
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Wikipedia Carprofen