Analyte Name

Vismodegib-d4

CAS Number

1450990-33-6

Molecular Formula

C19 D4 H10 Cl2 N2 O3 S

Molecular Weight

425.32

Accurate Mass

424.0353

SMILES

[2H]c1nc(c([2H])c([2H])c1[2H])c2cc(NC(=O)c3ccc(cc3Cl)S(=O)(=O)C)ccc2Cl

InChI

InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)/i2D,3D,4D,9D

IUPAC

2-chloro-N-[4-chloro-3-(3,4,5,6-tetradeuterio-2-pyridyl)phenyl]-4-methylsulfonyl-benzamide

Unlabelled CAS Number

879085-55-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat