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Atovaquone-[4-chlorophenyl-2,3,5,6-d4]

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General Information
Catalog: BLP-013689
CAS: 1163294-17-4
Molecular Formula: C22H15D4ClO3
Molecular Weight: 370.86

Chemical Structure

Description	Atovaquone-[4-chlorophenyl-2,3,5,6-d4] is the labelled analogue of Atovaquone, which is a medication used to treat or prevent for pneumocystis pneumonia, toxoplasmosis, malaria, and babesia.
Synonyms	Atovaquone (4-chlorophenyl-2,3,5,6-d4); 2-[trans-4-(4-Chlorophenyl-2,3,5,6-d4)cyclohexyl]-3-hydroxy-1,4-naphthalenedione; BW-566C-80-d4; Mepron-d4; Wellvone-d4
IUPAC Name	2-((1r,4r)-4-(4-chlorophenyl-2,3,5,6-d4)cyclohexyl)-3-hydroxynaphthalene-1,4-dione
Related CAS	95233-18-4 (unlabelled)
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/h1-4,9-13,15,26H,5-8H2/t13-,15-/i9D,10D,11D,12D
InChI Key	KUCQYCKVKVOKAY-WOYMMERNSA-N
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
Appearance	Light Yellow Solid
Storage	Store at -20°C