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Chemical structure of Apixaban-d3

GC75970

Apixaban-d3

Also known as 7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

Apixaban-d3 (BMS-562247-01-d3)is the deuterium labeledApixaban

ChemicalCAS1131996-12-7MW462.52FormulaC25H22D3N5O4
CAS number
1131996-12-7
Molecular weight
462.52
Formula
C25H22D3N5O4
Solubility
DMSO： ≥ 5 mg/mL (10·81 mM); DMF： ≥ 3 mg/mL (6·49 mM)
InChIKey
QNZCBYKSOIHPEH-FIBGUPNXSA-N
Catalogue number
GC75970
Brand
GLPBIO
Computed properties PubChem CID 25226058 · XLogP 2.2 · TPSA 111 Ų · H-bond donors 1
XLogP
2.2
TPSA
111 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

SMILES [2H]C([2H])([2H])OC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N

Computed descriptors from PubChem (CID 25226058), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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