分析物名称

(1,2,4-Triazol-4-yl) Posaconazole

分子式

C37 H42 F2 N8 O4

分子量

700.777

精确质量测定

700.33

SMILES

CC[C@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cnnc6)(C5)c7ccc(F)cc7F)cc4

InChI

InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)44-14-16-45(17-15-44)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-43-23-40-41-24-43)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35+,37-/m0/s1

IUPAC

4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-4-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat