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Chemical structure of Crisaborole-d4

GC74846

Crisaborole-d4

Also known as 2,3,5,6-tetradeuterio-4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile

Crisaborole-d4 is deuterium labeled Crisaborole

ChemicalCAS2268785-42-6MW255.07FormulaC14H6D4BNO3
CAS number
2268785-42-6
Molecular weight
255.07
Formula
C14H6D4BNO3
InChIKey
USZAGAREISWJDP-RHQRLBAQSA-N
Catalogue number
GC74846
Brand
GLPBIO
Computed properties PubChem CID 156587546 · TPSA 62.5 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
62.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

SMILES [2H]C1=C(C(=C(C(=C1C#N)[2H])[2H])OC2=CC3=C(B(OC3)O)C=C2)[2H]

Computed descriptors from PubChem (CID 156587546), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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