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CHEBI:135478 - cinmetacin

ChEBI IDCHEBI:135478
ChEBI Namecinmetacin
Stars
Last Modified23 February 2017
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FormulaC21H19NO4
Net Charge0
Average Mass349.386
Monoisotopic Mass349.13141
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)/b11-8+
InChIKeyNKPPORKKCMYYTO-DHZHZOJOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
cinmetacin (CHEBI:135478) is a indole-3-acetic acids (CHEBI:24803)
Synonyms  Source
cindometDrugCentral
cinmethacinDrugCentral
indolacinDrugCentral
Manual XrefsDatabases
3711DrugCentral
Registry NumbersSources
CAS:20168-99-4DrugCentral