81409-92-9 (((6Ar,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)

CAS号:
81409-92-9
英文名称:
(6Ar,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
分子式:
C26H39N5O2
分子量:
453.620166063309

(6Ar,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide(81409-92-9)名称与标识符

名称

英文别名:
N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-n-propylergolin e-8-beta-carboxamide;(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide;Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-propyl-, (8-beta)-;N-[3-(Dimethylamino)propyl]-N'-ethyl-N-[(6-propylergolin-8-yl)carbonyl]carbamimidic acid;

标识符

InChIKey:
HHPNSRKMOPOTKB-DICHZYRTSA-N
Inchi:
1S/C26H39N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h7,9-10,16,19,21,23,28H,5-6,8,11-15,17H2,1-4H3,(H,27,33)/t19-,21?,23-/m1/s1
SMILES:
O=C([C@H]1CN(CCC)[C@@H]2CC3=CNC4=CC=CC(=C34)C2C1)N(C(NCC)=O)CCCN(C)C
BRN:
6022328

(6Ar,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide(81409-92-9)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 8
  • 重原子数量 : 33
  • 复杂度 : 686
  • 拓扑分子极性表面积 : 71.7

(6Ar,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide(81409-92-9)推荐厂家 更多厂家(1)

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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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