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CHEBI:82817 - ent-diltiazem hydrochloride
| Formula | C22H26N2O4S.HCl |
| Net Charge | 0 |
| Average Mass | 450.988 |
| Monoisotopic Mass | 450.13801 |
| SMILES | COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1.Cl |
| 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 |
| Roles Classification |
|---|
| Biological Role: | potassium channel blocker An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 2-[(2R,3R)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chloride | IUPAC |
| (2R-cis)-3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride | ChemIDplus |
| (−)-cis-diltiazem hydrochloride | ChEBI |
| l-cis-diltiazem HCl | ChEBI |
| (−)-cis-diltiazem HCl | ChEBI |
| ent-diltiazem HCl | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:42399-54-2 | ChemIDplus |
| Citations |
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