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General Information
Catalog: BLP-003857
CAS: 1217785-83-5
Molecular Formula: C37H37D5F2N8O4
Molecular Weight: 705.8
Chemical Structure
Catalog Number Size Price Stock Quantity
BLP-003857 1 mg $299 In stock
BLP-003857 5 mg $1468 In stock
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Description Posaconazole-[d5], is the labelled analogue of Posaconazole, which is a sterol C14α demethylase inhibitor with an IC50 of 0.25 nM. Posaconazole is a triazole antifungal medication.
Synonyms Posaconazole D5
IUPAC Name 4-[2,6-dideuterio-4-[4-[3,5-dideuterio-4-[[(3R,5R)-5-[(5-deuterio-1,2,4-triazol-1-yl)methyl]-5-(2,4-difluorophenyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
Related CAS 171228-49-2 (unlabelled)
Canonical SMILES CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
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/i7D,8D,11D,12D,24D
Purity > 95%
Solubility Soluble in Chloroform, Ethyl Acetate, Methanol
Storage Store at-20°C

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