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Chemical structure of Posaconazole-D5

GC36950

Posaconazole-D5

Also known as 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-[(3S,4S)-1,1,1,2,2-pentadeuterio-4-hydroxypentan-3-yl]-1,2,4-triazol-3-one

Posaconazole-D5 is a deuterium-labeled form of Posaconazole

ChemicalCAS1217785-83-5MW705.81FormulaC37H37D5F2N8O4
CAS number
1217785-83-5
Molecular weight
705.81
Formula
C37H37D5F2N8O4
Solubility
DMSO ： 18·75 mg/mL (26·57 mM; ultrasonic and warming and heat to 60°C)
InChIKey
RAGOYPUPXAKGKH-XNZXKHRISA-N
Catalogue number
GC36950
Brand
GLPBIO
Computed properties PubChem CID 137628651 · XLogP 4.6 · TPSA 112 Ų · H-bond donors 1
XLogP
4.6
TPSA
112 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
51

SMILES [2H]C([2H])([2H])C([2H])([2H])[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

Computed descriptors from PubChem (CID 137628651), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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