CHEBI:3047 - benzthiazide

ChEBI IDCHEBI:3047
ChEBI Namebenzthiazide
Stars
Definition7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema.
Last Modified22 February 2017
DownloadsMolfile
FormulaC15H14ClN3O4S3
Net Charge0
Average Mass431.948
Monoisotopic Mass430.98350
SMILESNS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O
InChIInChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)
InChIKeyNDTSRXAMMQDVSW-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)
benzthiazide (CHEBI:3047) has role antihypertensive agent (CHEBI:35674)
benzthiazide (CHEBI:3047) has role diuretic (CHEBI:35498)
benzthiazide (CHEBI:3047) is a benzothiadiazine (CHEBI:50265)
benzthiazide (CHEBI:3047) is a sulfonamide (CHEBI:35358)
IUPAC Name 
3-[(benzylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
INNs  Source
benzotiazidaChemIDplus
benzthiazideChemIDplus
benzthiazidumChemIDplus
Synonyms  Source
3-benzylthiomethyl-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChEBI
3-benzylthiomethyl-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxideNIST Chemistry WebBook
3-((benzylthio)methyl)-6-chloro-7-sulfamoyl-2H-benzo-1,2,4-thiadiazine 1,1-dioxideChemIDplus
6-chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamideDrugBank
6-chloro-7-sulfamoyl-3-benzylthiomethyl-2H-1,2,4-benzothiadiazine 1,1-dioxideChemIDplus
benzothiazideChEBI
Manual XrefsDatabases
332DrugCentral
BenzthiazideWikipedia
C07759KEGG COMPOUND
D00651KEGG DRUG
DB00562DrugBank
DE1137740Patent
LSM-2474LINCS
US3440244Patent
Registry NumbersSources
Beilstein:722681Beilstein
CAS:91-33-8ChemIDplus
CAS:91-33-8NIST Chemistry WebBook
CAS:91-33-8KEGG COMPOUND