O-Methyl Atovaquone

Analyte Name

O-Methyl Atovaquone

CAS Number

129700-41-0

Molecular Formula

C23 H21 Cl O3

Molecular Weight

380.86

Accurate Mass

380.1179

SMILES

COC1=C([C@@H]2CC[C@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O

InChI

InChI=1S/C23H21ClO3/c1-27-23-20(21(25)18-4-2-3-5-19(18)22(23)26)16-8-6-14(7-9-16)15-10-12-17(24)13-11-15/h2-5,10-14,16H,6-9H2,1H3/t14-,16-

IUPAC

2-[4-(4-chlorophenyl)cyclohexyl]-3-methoxynaphthalene-1,4-dione

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Atovaquone

Purity

>95% (HPLC)