CHEBI:5778 - hydrochlorothiazide

ChEBI IDCHEBI:5778
ChEBI Namehydrochlorothiazide
Stars
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC7H8ClN3O4S2
Net Charge0
Average Mass297.745
Monoisotopic Mass296.96448
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
InChIInChI=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)
InChIKeyJZUFKLXOESDKRF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
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.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
diuretic  An agent that promotes the excretion of urine through its effects on kidney function.
ChEBI Ontology
Outgoing Relation(s)
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  Source
hydrochlorothiazideChemIDplus
hydrochlorothiazidumChemIDplus
hidroclorotiazidaChemIDplus
Synonym  Source
Esidrix (TN)KEGG COMPOUND
Manual XrefsDatabases
C07041KEGG COMPOUND
D00340KEGG DRUG
HMDB0001928HMDB
HydrochlorothiazideWikipedia
HCZPDBeChem
DB00999DrugBank
LSM-5308LINCS
1385DrugCentral
Registry NumbersSources
Reaxys:625101Reaxys
CAS:58-93-5KEGG COMPOUND
CAS:58-93-5ChemIDplus
CAS:58-93-5NIST Chemistry WebBook
Citations