CHEBI:31448 - cyclothiazide

ChEBI IDCHEBI:31448
ChEBI Namecyclothiazide
Stars
Definition3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema.
Secondary ChEBI IDsCHEBI:47361, CHEBI:598653
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H16ClN3O4S2
Net Charge0
Average Mass389.886
Monoisotopic Mass389.02708
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O
InChIInChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
InChIKeyBOCUKUHCLICSIY-UHFFFAOYSA-N
Wikipedia
Roles Classification
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)
cyclothiazide (CHEBI:31448) has role antihypertensive agent (CHEBI:35674)
cyclothiazide (CHEBI:31448) has role diuretic (CHEBI:35498)
cyclothiazide (CHEBI:31448) is a benzothiadiazine (CHEBI:50265)
IUPAC Name 
3-(bicyclo[2.2.1]hept-5-en-2-yl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
INNs  Source
cyclothiazideChemIDplus
ciclotiazidaChemIDplus
cyclothiazidumChemIDplus
Synonyms  Source
CyclothiazideKEGG COMPOUND
6-chloro-3,4-dihydro-3-(2-norbornen-5-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChemIDplus
6-chloro-3,4-dihydro-3-(5-norbornen-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChemIDplus
6-chloro-3-(2-norbornen-5-yl)-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxideChemIDplus
6-chloro-3,4-dihydro-3-(2-norbornen-5-yl)-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxideChemIDplus
Manual XrefsDatabases
C12685KEGG COMPOUND
CYZPDBeChem
DB00606DrugBank
D01256KEGG DRUG
US3275625Patent
CyclothiazideWikipedia
LSM-4421LINCS
761DrugCentral
Registry NumbersSources
Beilstein:722843Beilstein
CAS:2259-96-3KEGG COMPOUND
CAS:2259-96-3ChemIDplus
CAS:2259-96-3NIST Chemistry WebBook
Citations