Analyte Name

Posaconazole Impurity 11

Molecular Formula

C60 H69 F2 N13 O7

Molecular Weight

1122.27

Accurate Mass

1121.541

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)c(Oc8ccc(cc8)N9CCN(CC9)c%10ccc(cc%10)N%11C=NN([C@@H](CC)[C@@H](C)O)C%11=O)c4

InChI

InChI=1S/C60H69F2N13O7/c1-5-54(41(3)76)74-58(78)72(39-65-74)48-12-8-45(9-13-48)67-23-25-69(26-24-67)47-16-19-51(20-17-47)82-57-32-50(70-29-27-68(28-30-70)46-10-14-49(15-11-46)73-40-66-75(59(73)79)55(6-2)42(4)77)18-22-56(57)80-34-43-33-60(81-35-43,36-71-38-63-37-64-71)52-21-7-44(61)31-53(52)62/h7-22,31-32,37-43,54-55,76-77H,5-6,23-30,33-36H2,1-4H3/t41-,42+,43-,54+,55-,60+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat