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Chemical structure of Deupirfenidone

GC71668

Deupirfenidone

Also listed as Deupirfenidone-d3

Deupirfenidone-d3 is the deuterium labeled Pirfenidone

ChemicalCAS1093951-85-9MW188.24FormulaC12H8D3NO
CAS number
1093951-85-9
Molecular weight
188.24
Formula
C12H8D3NO
Solubility
DMSO ： ≥ 100 mg/mL (531·24 mM); DMSO ： 100 mg/mL (531·24 mM; Need ultrasonic); H2O ： 12·5 mg/mL (66·40 mM; Need ultrasonic)
InChIKey
ISWRGOKTTBVCFA-FIBGUPNXSA-N
Catalogue number
GC71668
Brand
GLPBIO
Computed properties PubChem CID 25145077 · XLogP 1.9 · TPSA 20.3 Ų · H-bond donors 0
XLogP
1.9
TPSA
20.3 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
14

SMILES [2H]C([2H])([2H])C1=CN(C(=O)C=C1)C2=CC=CC=C2

Computed descriptors from PubChem (CID 25145077), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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