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Posaconazole (SCH 56592,POS,Noxafil) is an inhibitor of CYP3A4, but does not inhibit the activity of other CYP enzymes. It is also an inhibitor of sterol C14 alpha demethylase with an IC50 of 0.25 μM. The average elimination half-life is 15-35 hours.
Brand: BCM
Solubility: Chloroform (Slightly), Methanol (Slightly)
Optical activity: [α]/D -24 to -32°, c = 1.0 in chloroform-d
Isomeric SMILES: CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
InChIKey: RAGOYPUPXAKGKH-XAKZXMRKSA-N
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
Attribute [CAS No.] 171228-49-2 [EINECS] 682-747-8 [MDL No.] MFCD00941162 [Formula] C37H42F2N8O4 [Molecular] 700.78 [Form] White to beige powder [Risk Codes] GHS02, GHS06, GHS08 [Storage] -20°C [Chem Name] 4-[4-[4-[4-[[(3R,5R)-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 [Synonym] Posaconazole; SCH 56592; POS; Noxafil
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