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CHEBI:3640 - chlorothiazide

Default Structure
ChEBI IDCHEBI:3640
ChEBI Namechlorothiazide
Stars
Definition4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension.
Secondary ChEBI IDCHEBI:162615
Last Modified25 May 2018
DownloadsMolfile
FormulaC7H6ClN3O4S2
Net Charge0
Average Mass295.729
Monoisotopic Mass294.94883
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O
InChIInChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyJBMKAUGHUNFTOL-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)
chlorothiazide (CHEBI:3640) has role antihypertensive agent (CHEBI:35674)
chlorothiazide (CHEBI:3640) has role diuretic (CHEBI:35498)
chlorothiazide (CHEBI:3640) is a benzothiadiazine (CHEBI:50265)
IUPAC Name 
6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
INNs  Source
chlorothiazideChemIDplus
chlorothiazidumChemIDplus
clorotiazidaChemIDplus
Synonyms  Source
6-Chloro-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[1,2,4]thiadiazine-7-sulfonic acid amideChEMBL
6-chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxideChemIDplus
ChlorothiazideKEGG COMPOUND
Manual XrefsDatabases
609DrugCentral
C07461KEGG COMPOUND
ChlorothiazideWikipedia
D00519KEGG DRUG
DB00880DrugBank
LSM-5942LINCS
US2809194Patent
Registry NumbersSources
Beilstein:1084805Beilstein
CAS:58-94-6ChemIDplus
CAS:58-94-6NIST Chemistry WebBook
CAS:58-94-6KEGG COMPOUND
Citations