loading...| Preferred Name |
tolmetin |
|
| Synonyms |
[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid 5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid 1-Methyl-5-p-toluoylpyrrole-2-acetic acid tolmetina tolmetino 1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid tolmetine tolmetinum tolmetin |
|
| Definitions |
A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_71941 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:23333829 PMID:19505209 LINCS:LSM-3852 PMID:20582193 KEGG:C07149 PMID:20529813 Patent:WO2008017903 PMID:3390998 DrugBank:DB00500 Wikipedia:Tolmetin Patent:WO2004069782 CAS:26171-23-3 KEGG:D02355 PDBeChem:TLT Patent:DE2836902 PMID:1206489 PMID:20853464 PMID:22005020 PMID:445955 PMID:22943177 Reaxys:485305 PMID:19181568 Drug_Central:2699 PMID:6686452 HMDB:HMDB0014643 Patent:MX2010012712 PMID:21936545 Patent:WO2009072139 PMID:8472518 |
|
| definition |
A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. |
|
| formula |
C15H15NO3 |
|
| has role | ||
| has_alternative_id |
CHEBI:9618 |
|
| has_exact_synonym |
[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid 1-Methyl-5-p-toluoylpyrrole-2-acetic acid tolmetina tolmetino 1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid tolmetine tolmetinum tolmetin |
|
| id |
CHEBI:71941 |
|
| in_subset | ||
| inchi |
InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18) |
|
| inchikey |
UPSPUYADGBWSHF-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
tolmetin |
|
| mass |
257.28450 |
|
| monoisotopicmass |
257.10519 |
|
| notation |
CHEBI:71941 |
|
| prefLabel |
tolmetin |
|
| smiles |
Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26455 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26455 |