loading...| Preferred Name |
indometacin |
| Synonyms |
{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid indometacina indometacinum indometacine Indocin indometacin Indomethacin [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Aconip |
| Definitions |
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. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_49662 |
| charge |
0 |
| database_cross_reference |
KEGG:C01926 MetaCyc:CPD-10545 PMID:23992308 Beilstein:497341 PMID:28166217 Wikipedia:Indometacin Reaxys:497341 Gmelin:1446006 PMID:5952296 KNApSAcK:C00030512 PMID:6039425 KEGG:D00141 PDBeChem:IMN Drug_Central:1440 PMID:22931205 Patent:BE379378 LINCS:LSM-3275 DrugBank:DB00328 CAS:53-86-1 HMDB:HMDB0014473 Patent:US3161654 |
| definition |
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. |
| formula |
C19H16ClNO4 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35480 http://purl.obolibrary.org/obo/CHEBI_49103 http://purl.obolibrary.org/obo/CHEBI_35544 http://purl.obolibrary.org/obo/CHEBI_35475 http://purl.obolibrary.org/obo/CHEBI_35845 |
| has_alternative_id |
CHEBI:5918 CHEBI:49660 |
| has_exact_synonym |
[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid indometacina indometacinum indometacine Indocin indometacin Indomethacin Aconip |
| id |
CHEBI:49662 |
| in_subset | |
| inchi |
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
| inchikey |
CGIGDMFJXJATDK-UHFFFAOYSA-N |
| label |
indometacin |
| mass |
357.78800 |
| monoisotopicmass |
357.07679 |
| notation |
CHEBI:49662 |
| prefLabel |
indometacin |
| smiles |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_83403 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_83403 |