Analyte Name

Crisaborole Diamer

CAS Number

2254541-79-0

Molecular Formula

C28 H20 N2 O4

Molecular Weight

448.469

Accurate Mass

448.142

SMILES

OCc1cc(Oc2ccc(cc2)C#N)ccc1c3ccc(Oc4ccc(cc4)C#N)cc3CO

InChI

InChI=1S/C28H20N2O4/c29-15-19-1-5-23(6-2-19)33-25-9-11-27(21(13-25)17-31)28-12-10-26(14-22(28)18-32)34-24-7-3-20(16-30)4-8-24/h1-14,31-32H,17-18H2

IUPAC

4-[4-[4-(4-cyanophenoxy)-2-(hydroxymethyl)phenyl]-3-(hydroxymethyl)phenoxy]benzonitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat