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CHEBI:31269 - Benzylhydrochlorothiazide

ChEBI IDCHEBI:31269
ChEBI NameBenzylhydrochlorothiazide
Stars
Last Modified13 March 2018
DownloadsMolfile
FormulaC14H14ClN3O4S2
Net Charge0
Average Mass387.870
Monoisotopic Mass387.01143
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccccc1)NS2(=O)=O
InChIInChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)
InChIKeyBWSSMIJUDVUASQ-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)
Benzylhydrochlorothiazide (CHEBI:31269) is a benzenes (CHEBI:22712)
Benzylhydrochlorothiazide (CHEBI:31269) is a benzothiadiazine (CHEBI:50265)
Benzylhydrochlorothiazide (CHEBI:31269) is a organochlorine compound (CHEBI:36683)
Benzylhydrochlorothiazide (CHEBI:31269) is a secondary amino compound (CHEBI:50995)
Benzylhydrochlorothiazide (CHEBI:31269) is a sulfonamide (CHEBI:35358)
Synonyms  Source
BenzylhydrochlorothiazideKEGG COMPOUND
benclortriazideDrugCentral
behydDrugCentral
benzclortriazideDrugCentral
Manual XrefsDatabases
C12675KEGG COMPOUND
D01246KEGG DRUG
336DrugCentral
Registry NumbersSources
CAS:1824-50-6KEGG COMPOUND