Analyte Name

Atovaquone-D4 (4-chlorophenyl-2,3,5,6-D4)

CAS Number

1163294-17-4

Molecular Formula

C22 D4 H15 Cl O3

Molecular Weight

370.862

Accurate Mass

370.127

SMILES

[2H]c1c([2H])c([C@@H]2CC[C@H](CC2)C3=C(O)C(=O)c4ccccc4C3=O)c([2H])c([2H])c1Cl

InChI

InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-/i9D,10D,11D,12D

IUPAC

2-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API; Contaminant

Product Format

Neat