Analyte Name

Darolutamide D4

CAS Number

2484757-19-7

Molecular Formula

C19 H15 Cl D4 N6 O2

Molecular Weight

402.87081

Accurate Mass

402.1509

SMILES

C([C@@](NC(=O)C=1C=C(C(C)O)NN1)(C([2H])([2H])[2H])[2H])N2N=C(C=C2)C3=CC(Cl)=C(C#N)C=C3

InChI

InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1/i1D3,11D

IUPAC

N-[(1S)-1-[[3-(3-chloro-4-cyano-phenyl)pyrazol-1-yl]methyl]-1,2,2,2-tetradeuterio-ethyl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat