tolmetin sodium dihydrate (CHEBI:72014)

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ChEBI Name	tolmetin sodium dihydrate

ChEBI ID	CHEBI:72014

Definition	An organic sodium salt that is the dihydrate form of tolmetin sodium. Used as a nonselective nonsteroidal anti-inflammatory drug.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C15H18NNaO5

Net Charge

Average Mass

315.29690

Monoisotopic Mass

315.10827

InChI

InChI=1S/C15H15NO3.Na.2H2O/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);;2*1H2/q;+1;;/p-1

InChIKey

QQILXENAYPUNEA-UHFFFAOYSA-M

SMILES

O.O.[Na+].Cc1ccc(cc1)C(=O)c1ccc(CC([O-])=O)n1C

Roles Classification
Biological Role(s):	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.

Application(s):	non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.

ChEBI Ontology
Outgoing	tolmetin sodium dihydrate (CHEBI:72014) has part tolmetin sodium (CHEBI:9619) tolmetin sodium dihydrate (CHEBI:72014) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544) tolmetin sodium dihydrate (CHEBI:72014) has role non-steroidal anti-inflammatory drug (CHEBI:35475) tolmetin sodium dihydrate (CHEBI:72014) is a hydrate (CHEBI:35505) tolmetin sodium dihydrate (CHEBI:72014) is a organic sodium salt (CHEBI:38700)

IUPAC Name

sodium [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate—water (1/2)

INN	Source
Tolectin	KEGG DRUG

Synonyms	Sources
Sodium 1-methyl-5-p-toluoylpyrrole-2-acetate dihydrate	ChemIDplus
Sodium tolmetin dihydrate	ChemIDplus
Tolmetin sodium	KEGG DRUG
Tolmetin sodium dihydrate	KEGG DRUG
Tolumetin sodium dihydrate	ChemIDplus

Last Modified

06 February 2013