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Chemical structure of Baricitinib-d3

GC75498

Baricitinib-d3

Also known as 2-[3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-1-(2,2,2-trideuterioethylsulfonyl)azetidin-3-yl]acetonitrile

Baricitinib-d3 is the deuterium labeled Baricitinib

ChemicalCAS1564242-30-3MW374.44FormulaC16H14D3N7O2S
CAS number
1564242-30-3
Molecular weight
374.44
Formula
C16H14D3N7O2S
InChIKey
XUZMWHLSFXCVMG-FIBGUPNXSA-N
Catalogue number
GC75498
Brand
GLPBIO
Computed properties PubChem CID 73296781 · XLogP -0.5 · TPSA 129 Ų · H-bond donors 1
XLogP
-0.5
TPSA
129 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

SMILES [2H]C([2H])([2H])CS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

Computed descriptors from PubChem (CID 73296781), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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