CHEBI:3013 - bendroflumethiazide

ChEBI IDCHEBI:3013
ChEBI Namebendroflumethiazide
Stars
DefinitionA sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.
Secondary ChEBI IDCHEBI:615239
Last Modified22 February 2017
DownloadsMolfile
FormulaC15H14F3N3O4S2
Net Charge0
Average Mass421.422
Monoisotopic Mass421.03778
SMILESNS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O
InChIInChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
InChIKeyHDWIHXWEUNVBIY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Applications:
diuretic  An agent that promotes the excretion of urine through its effects on kidney function.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
bendroflumethiazide (CHEBI:3013) has role antihypertensive agent (CHEBI:35674)
bendroflumethiazide (CHEBI:3013) has role diuretic (CHEBI:35498)
bendroflumethiazide (CHEBI:3013) is a benzothiadiazine (CHEBI:50265)
bendroflumethiazide (CHEBI:3013) is a sulfonamide (CHEBI:35358)
Incoming Relation(s)
(R)-bendroflumethiazide (CHEBI:59243) is a bendroflumethiazide (CHEBI:3013)
(S)-bendroflumethiazide (CHEBI:59244) is a bendroflumethiazide (CHEBI:3013)
IUPAC Name 
3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
INNs  Source
bendroflumethiazidumChemIDplus
bendroflumetiazidaChemIDplus
bendroflumethiazideKEGG DRUG
Synonyms  Source
BendroflumethiazideKEGG COMPOUND
±-3-benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChemIDplus
benzhydroflumethiazideChemIDplus
6-trifluoromethyl-3-benzyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxideChemIDplus
bendrofluazideChemIDplus
Manual XrefsDatabases
C07758KEGG COMPOUND
GB863474Patent
US3392168Patent
DB00436DrugBank
D00650KEGG DRUG
BendroflumethiazideWikipedia
LSM-1816LINCS
305DrugCentral
Registry NumbersSources
Reaxys:373316Reaxys
CAS:73-48-3KEGG COMPOUND
CAS:73-48-3ChemIDplus
Citations