53-18-9 (胺利血平,Yohimban-16-carboxylicacid,1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-,methyl ester, (3b,16b,17a,18b,20a)-)

CAS号:
53-18-9
中文名称:
胺利血平
英文名称:
Yohimban-16-carboxylicacid,1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-,methyl ester, (3b,16b,17a,18b,20a)-
分子式:
C39H53N3O9
分子量:
707.852831602097
简介:
胺利血平,分子式C39H53N3O9,蒸汽压1.56E-22mmHg at 25°C。

胺利血平(53-18-9)名称与标识符

名称

中文别名:
胺利血平;比他舍平;
英文别名:
Yohimban-16-carboxylicacid,1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-,methyl ester, (3b,16b,17a,18b,20a)-;bietaserpine;Diethylaminoreserpine;DL-152;S-1210;NS00041162;Bietasperine;DB13575;DTXSID301018918;0P5B94FVD5;METHYL 13-(2-(DIETHYLAMINO)ETHYL)-1,2,3,4,4A.ALPHA.,5,7,8,13,13B.BETA.,14,14A.ALPHA.-DODECAHYDRO-2.ALPHA.,11-DIMETHOXY-3.BETA.-((3,4,5-TRIMETHOXYBENZOYL)OXY)BENZ(G)INDOLO(2,3-A)QUINOLIZINE-1.BETA.-CARBOXYLATE;N-Diaethylaminoaethyl-reserpin [German];CHEBI:125518;(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;Bietaserpina;NSC 369865;L 652;AKOS040750798;D07167;BRD-K25210139-001-01-3;Bietaserpine [INN:DCF];1-diethylaminoethylreserpine;BIETASERPINE [MI];Bietaserpinum;NSC-369865;Bietaserpinum [INN-Latin];3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 1-(2-(diethylamino)ethyl)-18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester);BIETASERPINE [WHO-DD];53-18-9;Q4904688;Reserpine, 1-(2-(diethylamino)ethyl)-;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;Methyl 13-(2-(diethylamino)ethyl)-1,2,3,4,4aalpha,5,7,8,13,13bbeta,14,14aalpha-dodecahydro-2alpha,11-dimethoxy-3beta-((3,4,5-trimethoxybenzoyl)oxy)benz(g)indolo(2,3-a)quinolizine-1beta-carboxylate;UNII-0P5B94FVD5;Bietaserpine (prop.INN);Methyl 1alpha,2beta,3alpha,4,4aalpha,5,7,8,13,13bbeta,14,14aalpha-dodecahydro-1-(2-diethylaminoethyl)-2,11-dimethoxy-3beta-(3,4,5-trimethoxybenzoyloxy)-benz(g)indole-(2,3-a)quinolizine-1beta-carboxylate;S 1210;SCHEMBL309277;Methyl 1-[2-(diethylamino)ethyl]-18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate, 3,4,5-trimethoxybenzoate (ester);DL 152;N-Diaethylaminoaethyl-reserpin;CHEMBL3989595;Methyl 13-(2-diethylaminoethyl)-2,11-dimethoxy-3-(3,4,5-trimethoxybenzoyloxy)yohimban-1-carboxylic acid;EINECS 200-165-0;Methyl 1-(2-(diethylamino)ethyl)-18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate, 3,4,5-trimethoxybenzoate (ester);DL-152 FREE BASE;BIETASERPINE [MART.];Bietaserpina [INN-Spanish];1-(2-(Diethylamino)ethyl)reserpine;BIETASERPINE [INN];

标识符

InChIKey:
WFTSRDISOMSAQC-ZNFOTRSXSA-N
Inchi:
1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1
SMILES:
O(C)[C@H]1[C@@H](C[C@@H]2CN3CCC4C5C=CC(=CC=5N(CCN(CC)CC)C=4[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC)OC(C1C=C(C(=C(C=1)OC)OC)OC)=O

胺利血平(53-18-9)物化性质

实验特性

  • LogP : 4.92420
  • PSA : 110.16000
  • 折射率 : 1.7800 (estimate)
  • 沸点 : 706.92°C (rough estimate)
  • 闪点 : 409°C
  • 比旋光度 : D17 -121° (c = 2 in CHCl3)
  • 密度 : 1.1581 (rough estimate)

计算特性

  • 精确分子量 : 707.37800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 15
  • 同位素质量 : 707.378
  • 重原子数量 : 51
  • 复杂度 : 1150
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.7
  • 拓扑分子极性表面积 : 110A^2

胺利血平(53-18-9)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海依赫生物科技有限公司 17721395025
021-68882955
张经理 2423903095
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