기본 정보
- CAS
86408-44-8- 표준 SMILES
CNCCN1C(=O)[C@H](O)[C@H](c2ccc(OC)cc2)Sc2ccccc21- InChIKey
HNXJRKQNTGIDDU-MSOLQXFVSA-N- 분자식
- C19H22N2O3S
- 평균 분자량
- 358.5 g/mol
- 단동위원소 질량
- 358.13511356
이름 및 식별자
- 우선 이름
- 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)-
- IUPAC
- (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
- 영어명
- Diltiazem Impurity 3
- 분자식
- C19H22N2O3S
- 분자량
- 358.45
이름 및 동의어
86408-44-8Diltiazem Impurity 11(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one3QX2LKX8XZ(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-oneN-Desmethyl desacetyl diltiazem1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)-AC1L4RAIUNII-3QX2LKX8XZSureCN5821022SCHEMBL7433622CTK5E8725
이름 더 보기
Diltiazem Ep imp-GDiltiazem Impurity GO-Desacetyl N-Desmethyl Diltiazem D3O-Desacetyl-N-Desmethyldiltiazem HClDiltiazem Impurity 7 (N-Desmethyl Desacetyl Diltiazem)Diltiazem Impurity 3 (N-Desmethyl Desacetyl Diltiazem)1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-, (2S,3S)-
Desacetyl-N-monodesmethyldiltiazemDTXSID40235531HNXJRKQNTGIDDU-MSOLQXFVSA-NN-DESMETHYLDEACETYLDILTIAZEMAG-K-03466(+)-cis-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one(+/-)-cis-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 87.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 442
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Diltiazem
물리화학적 성질
- 끓는 점
- 612 · 612.0±55.0 °C(Predicted)
- 밀도
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.94 · 11.94±0.40(Predicted)
화학 및 산업
응용 분야
용도Deacetyl-N-demethyldiltiazem is a derivative of Diltiazem Hydrochloride (D460620). Diltiazem Hydrochloride is a calcium channel blocker with vasodilating activity. Anti-anginal; anti-hypertensive; anti-arrhythmic (class IV).
공급사32 곳
怀化元研达生物技术有限责任公司18711085600 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
广州九植医药科技有限公司020-89854820 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
관련 반응
3건
화합물 노트
불러오는 중…