기본 정보
- CAS
53-18-9- 표준 SMILES
CCN(CC)CCn1c2c(c3ccc(OC)cc31)CCN1C[C@H]3C[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@H](OC)[C@@H](C(=O)OC)[C@H]3C[C@H]21- InChIKey
WFTSRDISOMSAQC-ZNFOTRSXSA-N- 분자식
- C39H53N3O9
- 평균 분자량
- 707.9 g/mol
- 단동위원소 질량
- 707.37818028
개요
(1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylic acid methyl ester is a yohimban alkaloid.
이름 및 식별자
- 우선 이름
- Bietaserpine
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
- 현지명
- 비에타세르핀
- 영어명
- bietaserpine
- 분자식
- C39H53N3O9
- 분자량
- 707.86
이름 및 동의어
Bietaserpine53-18-9DL 152DL-152 FREE BASES-1210NSC-3698650P5B94FVD51-diethylaminoethylreserpineDTXSID301018918methyl (1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylateDIETHYLAMINORESERPINEMethyl 13-(2-diethylaminoethyl)-2,11-dimethoxy-3-(3,4,5-trimethoxybenzoyloxy)yohimban-1-carboxylic acid
이름 더 보기
비에타세르핀DL-152(3β,20α)-1-[2-(Diethylamino)ethyl]-11,17α-dimethoxy-18β-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16β-carboxylic acid methylYohimban-16-carboxylic acid, 1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-
methyl (1R,15S,17R,18R,19S,20S)-3-(2-(diethylamino)ethyl)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylateRefChem:568321DTXCID101476932200-165-0BietaserpinaBietasperineMethyl 1-(2-(diethylamino)ethyl)-18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate, 3,4,5-trimethoxybenzoate (ester)Bietaserpinum
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,140
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 706.92 °C · 706.92°C (rough estimate)
- 밀도
- 1.1581 · 1.1581 (rough estimate)
- 굴절률
- 1.78 · 1.7800 (estimate)
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
상·하류 제품 정보
상류 원료
공급사5 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
北京奥格泰克科技有限公司010-89719903 18511074324;18511074324 · [email protected]
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