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CHEBI:135942 - laropiprant

ChEBI IDCHEBI:135942
ChEBI Namelaropiprant
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H19ClFNO4S
Net Charge0
Average Mass435.904
Monoisotopic Mass435.07073
SMILESCS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3
InChIInChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
InChIKeyNXFFJDQHYLNEJK-CYBMUJFWSA-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)
laropiprant (CHEBI:135942) is a indolyl carboxylic acid (CHEBI:46867)
Synonyms  Source
MK 0524DrugCentral
MK-0524DrugCentral
Manual XrefsDatabases
4326DrugCentral
Registry NumbersSources
CAS:571170-77-9DrugCentral