기본 정보
- CAS
91940-87-3- 표준 SMILES
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC.Cl- InChIKey
ZRNKXJHEQKMWCH-UHFFFAOYSA-N- 분자식
- C26H37ClN2O5
- 평균 분자량
- 493 g/mol
- 단동위원소 질량
- 492.2391
이름 및 식별자
- 우선 이름
- 2H-3-Benzazepin-2-one, 3-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1)
- IUPAC
- 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
- 영어명
- 3-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one hydrochloride
- 분자식
- C26H37ClN2O5
- 분자량
- 493.04
이름 및 동의어
Zatebradine hydrochloride91940-87-3DTXSID6045745WJB7DYV16AULFS-49CLDTXCID40257452H-3-BENZAZEPIN-2-ONE, 3-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)METHYLAMINO)PROPYL)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-, HYDROCHLORIDE (1:1)RefChem:1958741,3,4,5-tetrahydro-7,8-dimethoxy-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylimino)propyl)-2H-3-benzazepin-2-one hydrochlorideZatebradine HClZatebradine (hydrochloride)UL-FS-49;UL-FS-49CL
이름 더 보기
UL-FS49ULFS 49CLZatebradine HCl (UL-FS-49Zatebradine dihydrochlorideZatebradine hydrochloride, 10 mM in DMSO3-(3-((3,4-dimethoxyphenethyl)(methyl)amino)propyl)-7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride7,8-Dimethoxy-3-[3-[-N-[2-(3,4 dimethoxyphenyl)ethyl]-N-methylamino]propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride
UL-FS 49UL-FS-493-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one hydrochlorideNCGC00092334-013-(3-((3,4-Dimethoxyphenethyl)(methyl)amino)propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one hydrochloride3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochlorideCAS-91940-87-3UNII-WJB7DYV16A
물성
구조 계산 물성
- 극성 표면적
- 60.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 591
물리화학적 성질
- 녹는점
- 188 ° · 188° and mp 168°
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: ~14 mg/mL
- 물리적 상태
- 고체
- 색상
- 하얀색
- 수용성
- Soluble in water (100mM)
- InChI
- 1S/C26H36N2O5.ClH/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29;/h7-8,15-17H,6,9-14,18H2,1-5H3;1H
- InChIKey
- ZRNKXJHEQKMWCH-UHFFFAOYSA-N
- SMILES
- Cl[H].COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- safety_code
- 22-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
응용 분야
용도Zatebradine Hydrochloride exhibits bradycardic properties and blocks the hyperpolarization-activated cyclic nucleotide-gated (HCN). It is also a sinus node inhibitor.
상·하류 제품 정보
상류 원료
공급사33 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
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