CHEBI:645509 - diltiazem hydrochloride

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ChEBI Name diltiazem hydrochloride
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4603, CHEBI:210872
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Formula C22H27ClN2O4S
Net Charge 0
Average Mass 450.97900
Monoisotopic Mass 450.13801
InChI InChI=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
SMILES Cl.COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Roles Classification
Biological Role(s): 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.
Application(s): antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
vasodilator agent
A drug used to cause dilation of the blood vessels.
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ChEBI Ontology
Outgoing 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 ent-diltiazem hydrochloride (CHEBI:82817) is enantiomer of diltiazem hydrochloride (CHEBI:645509)
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride
Synonyms Sources
(+)-5-(2-(dimethylamino)ethyl)-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester monohydrochloride ChemIDplus
(2S-cis)-3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride ChemIDplus
2-[(2S,3S)-3-(acetyloxy)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chloride IUPAC
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; hydrochloride ChEMBL
diltiazem HCl ChemIDplus
Diltiazem hydrochloride ChEMBL
Manual Xrefs Databases
DB00343 DrugBank
View more database links
Registry Numbers Types Sources
33286-22-5 CAS Registry Number ChemIDplus
33286-22-5 CAS Registry Number KEGG DRUG
4228706 Beilstein Registry Number Beilstein
Last Modified
29 August 2014