95311-97-0 Purity
98%
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Specification
The molecular formula of Atovaquone is C22H19ClO3.
The molecular weight of Atovaquone is 366.8 g/mol.
The IUPAC name of Atovaquone is 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione.
The InChI of Atovaquone is 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/h1-4,9-13,15,24H,5-8H2.
The InChIKey of Atovaquone is BSJMWHQBCZFXBR-UHFFFAOYSA-N.
The canonical SMILES of Atovaquone is C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O.
The CAS number of Atovaquone is 94015-53-9.
The UNII of Atovaquone is Y883P1Z2LT.
The ChEMBL ID of Atovaquone is CHEMBL1450.
The RXCUI of Atovaquone is 60212.