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CHEBI:31419 - cloperastine fendizoate

ChEBI IDCHEBI:31419
ChEBI Namecloperastine fendizoate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC20H14O4.C20H24ClNO
Net Charge0
Average Mass648.199
Monoisotopic Mass647.24385
SMILESClc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1.O=C(O)c1ccccc1C(=O)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C20H24ClNO.C20H14O4/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24)
InChIKeyPXZFKAKWSHBDCP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
cloperastine fendizoate (CHEBI:31419) has functional parent benzoate (CHEBI:16150)
cloperastine fendizoate (CHEBI:31419) is a N-oxyethylpiperidine (CHEBI:48737)
Synonym  Source
cloperastine fendizoateKEGG DRUG
Brand Name  Source
HustazolKEGG DRUG
Manual XrefsDatabases
D01569KEGG DRUG
Registry NumbersSources
CAS:85187-37-7KEGG COMPOUND