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CHEBI:31448 - cyclothiazide

Default Structure
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:
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.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
cyclothiazide (CHEBI:31448) has role antihypertensive agent (CHEBI:35674)
cyclothiazide (CHEBI:31448) has role cardiovascular drug (CHEBI:35554)
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
ciclotiazidaChemIDplus
cyclothiazideChemIDplus
cyclothiazidumChemIDplus
Synonyms  Source
35483ChEMBL
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)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChemIDplus
6-chloro-3,4-dihydro-3-(2-norbornen-5-yl)-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxideChemIDplus
6-chloro-3,4-dihydro-3-(5-norbornen-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideChemIDplus
CyclothiazideKEGG COMPOUND
Brand Names  Source
AnhydronChEMBL
FluidilChEMBL
Manual XrefsDatabases
761DrugCentral
C12685KEGG COMPOUND
CyclothiazideWikipedia
CYZPDBeChem
D01256KEGG DRUG
DB00606DrugBank
LSM-4421LINCS
US3275625Patent
Registry NumbersSources
Beilstein:722843Beilstein
CAS:2259-96-3NIST Chemistry WebBook
CAS:2259-96-3ChemIDplus
CAS:2259-96-3KEGG COMPOUND
Citations