CHEBI:82817 - ent-diltiazem hydrochloride

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ChEBI Name ent-diltiazem hydrochloride
ChEBI ID CHEBI:82817
ChEBI ASCII Name ent-diltiazem hydrochloride
Definition A hydrochloride salt resulting from the reaction of equimolar amounts of ent-diltiazem and hydrogen chloride.
Stars This entity has been manually annotated by the ChEBI Team.
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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+;/m0./s1
InChIKey HDRXZJPWHTXQRI-JUDYQFGCSA-N
SMILES Cl.COc1ccc(cc1)[C@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@H]1OC(C)=O
Roles Classification
Biological Role(s): potassium channel blocker
An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions.
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ChEBI Ontology
Outgoing ent-diltiazem hydrochloride (CHEBI:82817) has part ent-diltiazem(1+) (CHEBI:82816)
ent-diltiazem hydrochloride (CHEBI:82817) has role potassium channel blocker (CHEBI:50509)
ent-diltiazem hydrochloride (CHEBI:82817) is a hydrochloride (CHEBI:36807)
ent-diltiazem hydrochloride (CHEBI:82817) is enantiomer of diltiazem hydrochloride (CHEBI:645509)
Incoming diltiazem hydrochloride (CHEBI:645509) is enantiomer of ent-diltiazem hydrochloride (CHEBI:82817)
IUPAC Name
(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride
Synonyms Sources
(−)-cis-diltiazem HCl ChEBI
(−)-cis-diltiazem hydrochloride ChEBI
(2R-cis)-3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride ChemIDplus
2-[(2R,3R)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chloride IUPAC
ent-diltiazem HCl ChEBI
l-cis-diltiazem HCl ChEBI
l-cis-diltiazem hydrochloride ChEBI
Registry Number Type Source
42399-54-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20436480 PubMed citation Europe PMC
Last Modified
29 August 2014