58019-50-4 (美纳比坦,1-Piperidinebutanoicacid, a,2-dimethyl-,8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-[1]benzopyrano[4,3-c]pyridin-10-ylester, hydrochloride (1:2))

CAS号:
58019-50-4
中文名称:
美纳比坦
英文名称:
1-Piperidinebutanoicacid, a,2-dimethyl-,8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-[1]benzopyrano[4,3-c]pyridin-10-ylester, hydrochloride (1:2)
分子式:
C37H58Cl2N2O3
分子量:
649.774029254913

美纳比坦(58019-50-4)名称与标识符

名称

中文别名:
美**坦;美纳比坦;
英文别名:
1-Piperidinebutanoicacid, a,2-dimethyl-,8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-[1]benzopyrano[4,3-c]pyridin-10-ylester, hydrochloride (1:2);[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate,dihydrochloride;1-Piperidinebutanoicacid, a,2-dimethyl-,8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-[1]benzop;SP 204;D04907;58019-50-4;CHEMBL3989597;Menabitan hydrochloride (USAN);(+-)-8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl alpha,2-dimethyl-1-piperidinebutyrate, dihydrochloride;[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate;dihydrochloride;1-Piperidinebutanoic acid, alpha,2-dimethyl-, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, dihydrochloride, (+-)-;1-PIPERIDINEBUTANOIC ACID, .ALPHA.,2-DIMETHYL-, 8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL ESTER, DIHYDROCHLORIDE, (+/-)-;UNII-ZEI0YBM796;SCHEMBL122063;SP-204;Menabitan hydrochloride [USAN];DTXSID40973603;Menabitan hydrochloride;1-Piperidinebutanoic acid, alpha,2-dimethyl-, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, dihydrochloride;ZEI0YBM796;Menabitan HCl;(+/-)-8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL .ALPHA.,2-DIMETHYL-1-PIPERIDINEBUTYRATE, DIHYDROCHLORIDE;5,5-Dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-yl 2-methyl-4-(2-methylpiperidin-1-yl)butanoate--hydrogen chloride (1/2);

标识符

InChIKey:
VYBDZIGAEAYRMM-UHFFFAOYSA-N
Inchi:
1S/C37H56N2O3.2ClH/c1-9-11-12-15-26(3)29(6)30-23-33(41-36(40)27(4)17-22-39-20-14-13-16-28(39)5)35-31-25-38(19-10-2)21-18-32(31)37(7,8)42-34(35)24-30;;/h2,23-24,26-29H,9,11-22,25H2,1,3-8H3;2*1H
SMILES:
Cl.Cl.O1C2C=C(C=C(C=2C2CN(CC#C)CCC=2C1(C)C)OC(C(C)CCN1CCCCC1C)=O)C(C)C(C)CCCCC

美纳比坦(58019-50-4)物化性质

实验特性

  • LogP : 9.55580
  • 沸点 : 654.6ºC at 760 mmHg
  • 闪点 : 349.7ºC

计算特性

  • 精确分子量 : 648.382
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 13
  • 同位素质量 : 648.382
  • 重原子数量 : 44
  • 复杂度 : 979
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 4
  • 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 : 3
  • 拓扑分子极性表面积 : 42Ų

美纳比坦(58019-50-4)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
湖南省邵阳天堂助剂化工有限公司 19973945045
0199-73945045
丁典询单