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Atovaquone-[d5]

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General Information
Catalog: BLP-003360
CAS: 1329792-63-3
Molecular Formula: C22H14DClO3
Molecular Weight: 371.87

Chemical Structure

Description	Atovaquone-[d5] is a labelled compound of Atovaquone. Atovaquone is a medication used to treat or prevent for pneumocystis pneumonia, toxoplasmosis, malaria, and babesia.
Synonyms	2-[trans-4-(4-Chlorophenyl)cyclohexyl-d5-]-3-hydroxy-1,4-naphthalenedione; 566C80-d5; Mepron-d5; Wellvone-d5
IUPAC Name	3-[4-(4-chlorophenyl)-1,2,2,6,6-pentadeuteriocyclohexyl]-4-hydroxynaphthalene-1,2-dione
Related CAS	95233-18-4 (unlabelled) 1217612-80-0
Canonical SMILES	C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O
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/h1-4,9-13,15,24H,5-8H2/i7D2,8D2,15D
InChI Key	BSJMWHQBCZFXBR-YNUDWXFUSA-N
Melting Point	>218°C (dec.)
Purity	> 98%
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
Appearance	Off-white to Yellow Solid
Storage	-20°C