Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
l-trans-Diltiazem · d-trans-Diltiazem · [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate · 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one · [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate · 5-[2-(Dimethylamino)ethyl]-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-ol acetate · 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)- · acetic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester

식별자 및 물리적 특성
| CAS No. | 34933-06-7 |
|---|---|
| 분자식 | C22H26N2O4S |
| 평균 분자량 | 414.5 g/mol |
| 단동위원소 질량 | 414.16132849 g/mol |
| SMILES | COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
| InChIKey | HSUGRBWQSSZJOP-UHFFFAOYSA-N |
| PubChem CID | 3076 |
| ChEMBL | CHEMBL603584 |
| ChEBI | CHEBI:82814 |
| EC No. | 252-295-2 |
| DTXSID | DTXSID50881104 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 84.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 29 |
| 형식 전하 | 0 |
| 복잡도 | 565 |
| Kovats Retention Index | 292729602967.12922.229192962.72970 |