Molecular Identity
Indomethacin
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
PubChem CID: 3715
Indometacin is a member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. It has a role as a non-steroidal anti-inflammatory drug, an analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a xenobiotic, a gout suppressant, a drug metabolite, a xenobiotic metabolite and an environmental contaminant. It is a member of indole-3-acetic acids, an aromatic ether, a N-acylindole and a member of monochlorobenzenes.
2D Structure
Properties
C19H16ClNO4
Molecular Formula
357.80
Molecular Weight
g/mol
357.0768
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
68.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
506
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OIsomeric SMILES
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OSynonyms(20)
indomethacin53-86-1indometacinIndomethacineIndometacineIndocidMetindolReumacideIndomethazineIdomethineImbrilonMikametanIndacinMobilanTannex
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Indomethacin
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