loading...| Preferred Name |
|
|
| Synonyms |
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate D-cis-diltiazem diltiazem 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 (2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one (+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate d-cis-diltiazem diltiazemum |
|
| Definitions |
A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_101278 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:16651034 Drug_Central:897 PMID:25122162 PMID:23687551 Patent:DE3415035 CAS:42399-41-7 PMID:19167257 DrugBank:DB00343 PMID:24261918 Patent:US4552695 VSDB:1863 Wikipedia:Diltiazem Patent:DE1805714 PMID:8369596 HMDB:HMDB0014487 KEGG:C06958 KEGG:D07845 Beilstein:3573079 PMID:11937779 LINCS:LSM-2523 Patent:US3562257 Reaxys:3573079 |
|
| definition |
A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. |
|
| formula |
C22H26N2O4S |
|
| has_alternative_id |
CHEBI:4602 |
|
| has_exact_synonym |
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
D-cis-diltiazem diltiazem 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 (2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one (+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate d-cis-diltiazem diltiazemum |
|
| id |
CHEBI:101278 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H26N2O4S/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/t20-,21+/m1/s1 |
|
| inchikey |
HSUGRBWQSSZJOP-RTWAWAEBSA-N |
|
| label |
diltiazem |
|
| mass |
414.51800 |
|
| monoisotopicmass |
414.16133 |
|
| notation |
CHEBI:101278 |
|
| smiles |
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |
|
| subClassOf |