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CHEBI:3013 - bendroflumethiazide

Default Structure
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:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
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 cardiovascular drug (CHEBI:35554)
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
bendroflumethiazideKEGG DRUG
bendroflumethiazidumChemIDplus
bendroflumetiazidaChemIDplus
Synonyms  Source
±-3-benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChemIDplus
6-trifluoromethyl-3-benzyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxideChemIDplus
bendrofluazideChemIDplus
BendroflumethiazideKEGG COMPOUND
benzhydroflumethiazideChemIDplus
NSC-758229ChEMBL
Brand Names  Source
AprinoxChEMBL
Bendroflumethiazide component of corzideChEMBL
BerkozideChEMBL
CentylChEMBL
NaturetinChEMBL
Naturetin-10ChEMBL
Manual XrefsDatabases
305DrugCentral
BendroflumethiazideWikipedia
C07758KEGG COMPOUND
D00650KEGG DRUG
DB00436DrugBank
GB863474Patent
LSM-1816LINCS
US3392168Patent
Registry NumbersSources
Reaxys:373316Reaxys
CAS:73-48-3KEGG COMPOUND
CAS:73-48-3ChemIDplus
Citations