CHEBI:3047 - benzthiazide

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ChEBI Name benzthiazide
ChEBI ID CHEBI:3047
Definition 7-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.
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Formula C15H14ClN3O4S3
Net Charge 0
Average Mass 431.93700
Monoisotopic Mass 430.98350
InChI InChI=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)
InChIKey NDTSRXAMMQDVSW-UHFFFAOYSA-N
SMILES NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
benzotiazida ChemIDplus
benzthiazide ChemIDplus
benzthiazidum ChemIDplus
Synonyms Sources
3-((benzylthio)methyl)-6-chloro-7-sulfamoyl-2H-benzo-1,2,4-thiadiazine 1,1-dioxide ChemIDplus
3-benzylthiomethyl-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide ChEBI
3-benzylthiomethyl-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide NIST Chemistry WebBook
6-chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide DrugBank
6-chloro-7-sulfamoyl-3-benzylthiomethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide ChemIDplus
benzothiazide ChEBI
Benzthiazide KEGG COMPOUND
Manual Xrefs Databases
332 DrugCentral
Benzthiazide Wikipedia
C07759 KEGG COMPOUND
D00651 KEGG DRUG
DB00562 DrugBank
DE1137740 Patent
LSM-2474 LINCS
US3440244 Patent
View more database links
Registry Numbers Types Sources
722681 Beilstein Registry Number Beilstein
91-33-8 CAS Registry Number ChemIDplus
91-33-8 CAS Registry Number NIST Chemistry WebBook
Last Modified
22 February 2017