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Chemical structure of Hydroxy Itraconazole-d5

GC70605

Hydroxy Itraconazole-d5

Also listed as (2R,4S)-Hydroxy Itraconazole-d5

(2R,4S)-Hydroxy Itraconazole-d5 is the deuterium labeled (2R,4S)-Hydroxy Itraconazole

ChemicalCAS1217524-77-0MW726.66FormulaC35H33D5Cl2N8O5
CAS number
1217524-77-0
Molecular weight
726.66
Formula
C35H33D5Cl2N8O5
InChIKey
ISJVOEOJQLKSJU-VVLLWNLBSA-N
Catalogue number
GC70605
Brand
GLPBIO
Computed properties PubChem CID 45039457 · XLogP 4.5 · TPSA 121 Ų · H-bond donors 1
XLogP
4.5
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
50

SMILES [2H]C([2H])([2H])C([2H])(C([2H])(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl)O

Computed descriptors from PubChem (CID 45039457), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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