Dofequidar (fumarate)(153653-30-6)名称与标识符
名称
英文别名:
Dofequidar (fumarate);MS-209;Dofequidar (2E)-2-butenedioate (1:1);Dofequidar;MS209;Dofequidar [INN];1-(4-(2-hydroxy-3-(quinolin-5-yloxy)propyl)piperazin-1-yl)-2,2-diphenylethanone;1-(Diphenylacetyl)-4-((2RS)-2-hydroxy-3-(5-quinolyloxy)propyl)piperazine;Dofequidar (R)-isomer;Dofequidar (S)-isomer;BCP24839;DB14067;1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone;Dofequidar fumarate;
标识符
InChIKey:
KLWUUPVJTLHYIM-UHFFFAOYSA-N
Inchi:
1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2
SMILES:
O([H])C([H])(C([H])([H])OC1=C([H])C([H])=C([H])C2=C1C([H])=C([H])C([H])=N2)C([H])([H])N1C([H])([H])C([H])([H])N(C(C([H])(C2C([H])=C([H])C([H])=C([H])C=2[H])C2C([H])=C([H])C([H])=C([H])C=2[H])=O)C([H])([H])C1([H])[H]