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Chemical structure of Deferasirox-d4

GC40230

Deferasirox-d4

Also known as 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-2,3,5,6-tetradeuteriobenzoic acid

Deferasirox-d4 is intended for use as an internal standard for the quantification of deferasirox by GC- or LC-MS

ChemicalCAS1133425-75-8MW377.4FormulaC21H11D4N3O4
CAS number
1133425-75-8
Molecular weight
377.4
Formula
C21H11D4N3O4
Solubility
DMF： 30 mg/ml,DMSO： 20 mg/ml,Ethanol： 2 mg/ml
InChIKey
BOFQWVMAQOTZIW-IRYCTXJYSA-N
Catalogue number
GC40230
Brand
GLPBIO
Computed properties PubChem CID 135872831 · XLogP 3.8 · TPSA 108 Ų · H-bond donors 3
XLogP
3.8
TPSA
108 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

SMILES [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])N2C(=NC(=N2)C3=CC=CC=C3O)C4=CC=CC=C4O)[2H]

Computed descriptors from PubChem (CID 135872831), 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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