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CHEBI:645509 - 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+;/m1./s1 |
| InChIKey | HDRXZJPWHTXQRI-BHDTVMLSSA-N |
| Roles Classification |
|---|
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. 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: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. vasodilator agent A drug used to cause dilation of the blood vessels. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. laxative An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| diltiazem hydrochloride (CHEBI:645509) has part diltiazem(1+) (CHEBI:82812) |
| diltiazem hydrochloride (CHEBI:645509) has role anti-arrhythmia drug (CHEBI:38070) |
| diltiazem hydrochloride (CHEBI:645509) has role anti-HIV agent (CHEBI:64946) |
| diltiazem hydrochloride (CHEBI:645509) has role antihypertensive agent (CHEBI:35674) |
| diltiazem hydrochloride (CHEBI:645509) has role antineoplastic agent (CHEBI:35610) |
| diltiazem hydrochloride (CHEBI:645509) has role antispasmodic drug (CHEBI:53784) |
| diltiazem hydrochloride (CHEBI:645509) has role calcium channel blocker (CHEBI:38215) |
| diltiazem hydrochloride (CHEBI:645509) has role cardiovascular drug (CHEBI:35554) |
| diltiazem hydrochloride (CHEBI:645509) has role laxative (CHEBI:50503) |
| 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 chloride | IUPAC |
| (2S-cis)-3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride | ChemIDplus |
| (+)-5-(2-(dimethylamino)ethyl)-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester monohydrochloride | ChemIDplus |
| 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 |
| Adizem | ChEMBL |
| Altiazem | ChEMBL |
| Brand Names | Source |
|---|---|
| Adizem-60 | ChEMBL |
| Adizem-sr | ChEMBL |
| Adizem-xl | ChEMBL |
| Angiozem 60 | ChEMBL |
| Angiozem cr 120 | ChEMBL |
| Angiozem cr 90 | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4228706 | Beilstein |
| CAS:33286-22-5 | ChemIDplus |
| CAS:33286-22-5 | KEGG DRUG |
| Citations |
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