CHEBI:5778 - hydrochlorothiazide

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ChEBI Name hydrochlorothiazide
ChEBI ID CHEBI:5778
Definition A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H8ClN3O4S2
Net Charge 0
Average Mass 297.73900
Monoisotopic Mass 296.964
InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKey JZUFKLXOESDKRF-UHFFFAOYSA-N
SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hydrochlorothiazide (CHEBI:5778) has role antihypertensive agent (CHEBI:35674)
hydrochlorothiazide (CHEBI:5778) has role diuretic (CHEBI:35498)
hydrochlorothiazide (CHEBI:5778) has role environmental contaminant (CHEBI:78298)
hydrochlorothiazide (CHEBI:5778) has role xenobiotic (CHEBI:35703)
hydrochlorothiazide (CHEBI:5778) is a benzothiadiazine (CHEBI:50265)
hydrochlorothiazide (CHEBI:5778) is a organochlorine compound (CHEBI:36683)
hydrochlorothiazide (CHEBI:5778) is a sulfonamide (CHEBI:35358)
IUPAC Name
6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
INNs Sources
hidroclorotiazida ChemIDplus
hydrochlorothiazide ChemIDplus
hydrochlorothiazidum ChemIDplus
Synonym Source
Esidrix (TN) KEGG COMPOUND
Manual Xrefs Databases
1385 DrugCentral
C07041 KEGG COMPOUND
D00340 KEGG DRUG
DB00999 DrugBank
HCZ PDBeChem
HMDB0001928 HMDB
Hydrochlorothiazide Wikipedia
LSM-5308 LINCS
View more database links
Registry Numbers Types Sources
58-93-5 CAS Registry Number KEGG COMPOUND
58-93-5 CAS Registry Number NIST Chemistry WebBook
58-93-5 CAS Registry Number ChemIDplus
625101 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24055851 PubMed citation Europe PMC
24657333 PubMed citation Europe PMC
24849193 PubMed citation Europe PMC
Last Modified
22 February 2017