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CHEBI:645509 - diltiazem hydrochloride

Default Structure
ChEBI IDCHEBI:645509
ChEBI Namediltiazem hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the reaction of equimolar amounts of diltiazem and hydrogen chloride. A calcium-channel blocker and vasodilator, it is used in the management of angina pectoris and hypertension.
Secondary ChEBI IDsCHEBI:4603, CHEBI:210872
Last Modified29 August 2014
DownloadsMolfile
FormulaC22H26N2O4S.HCl
Net Charge0
Average Mass450.988
Monoisotopic Mass450.13801
SMILESCOc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl
InChIInChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1
InChIKeyHDRXZJPWHTXQRI-BHDTVMLSSA-N
Roles Classification
Biological Role:
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
diltiazem hydrochloride (CHEBI:645509) has part diltiazem(1+) (CHEBI:82812)
diltiazem hydrochloride (CHEBI:645509) has role antihypertensive agent (CHEBI:35674)
diltiazem hydrochloride (CHEBI:645509) has role calcium channel blocker (CHEBI:38215)
diltiazem hydrochloride (CHEBI:645509) has role vasodilator agent (CHEBI:35620)
diltiazem hydrochloride (CHEBI:645509) is a hydrochloride (CHEBI:36807)
diltiazem hydrochloride (CHEBI:645509) is enantiomer of ent-diltiazem hydrochloride (CHEBI:82817)
Incoming Relation(s)
ent-diltiazem hydrochloride (CHEBI:82817) is enantiomer of diltiazem hydrochloride (CHEBI:645509)
IUPAC Name 
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride
Synonyms  Source
2-[(2S,3S)-3-(acetyloxy)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chlorideIUPAC
(2S-cis)-3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochlorideChemIDplus
(+)-5-(2-(dimethylamino)ethyl)-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester monohydrochlorideChemIDplus
Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester; hydrochlorideChEMBL
diltiazem HClChemIDplus
Diltiazem hydrochlorideChEMBL
Manual XrefsDatabases
D00616KEGG DRUG
DB00343DrugBank
Registry NumbersSources
Beilstein:4228706Beilstein
CAS:33286-22-5KEGG DRUG
CAS:33286-22-5ChemIDplus