all-(S)-Posaconazole
Product Specifications
Synonyms
all-(S)-Posaconazole
Hazard Statement
No Data Available
Smiles
CC[C@@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4
Molecular Formula
C37 H42 F2 N8 O4
Molecular Weight
700.777
InChI
InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)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
Additionnal Information
IUPAC name: 4-[4-[4-[4-[[(3S,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
Shipping Conditions
Room Temperature
CAS Number
1246391-73-0
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