76997-30-3 (阿米三嗪-萝巴新,Almitrine-raubasine)

快速询单

结构式：

阿米三嗪-萝巴新MOL文件

CAS号：

76997-30-3

中文名称：

阿米三嗪-萝巴新

英文名称：

Almitrine-raubasine

分子式：

C₄₇H₅₃F₂N₉O₃

分子量：

829.979037046433

阿米三嗪-萝巴新(76997-30-3)名称与标识符

名称

中文别名：

阿米三嗪-萝巴新;16,17-二去氢-19-甲基氧杂育亨烷-16-羧酸甲酯 6-(4-(二(4-氟苯基)甲基)-1-哌嗪基)-N,N'-二-2-丙烯基-1,3,5-三嗪-2,4-二胺;

英文别名：

Almitrine-raubasine;Methyl 16,17-didehydro-19-methyloxayohimban-16-carboxylate 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine;methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate - 6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-N,N'-diprop-2-en-1-yl-1,3,5-triazine-2,4-diamine (1:1);Almitrine - raubasine;6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;DTXSID50227801;SE-5023;Almitrine, raubasine drug combination;Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19alpha)-, mixt. with 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine;76997-30-3;Duxil;

标识符

InChIKey：

LWKZCNVWFBSPKH-FVLLGJNOSA-N

Inchi：

1S/C26H29F2N7.C21H24N2O3/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t;12-,15-,16+,19-/m.0/s1

SMILES：

FC1C=CC(=CC=1)C(C1C=CC(=CC=1)F)N1CCN(C2N=C(NCC=C)N=C(NCC=C)N=2)CC1.O1C=C(C(=O)OC)[C@H]2C[C@H]3C4=C(C5C=CC=CC=5N4)CCN3C[C@@H]2[C@@H]1C