CAS No. 95233-18-4

Appearance	Yellow powder
Solubility	Freely soluble in N-methyl-2-pyrrolidone and in tetrahydrofuran; Slightly soluble in ethyl acetate; Insoluble in water.
Identification	A.Infrared absorption B.The retention time of the major peak corresponds to that of standard by HPLC
Water	≤ 1.0%
Residue on ignition	≤ 0.1%
Heavy metals	≤ 10ppm
Residual solvents
Methanol	≤ 2000ppm
Chloroform	≤ 60ppm
Dichloromethane	≤ 600ppm
Acetonitrile	≤ 410ppm
Related substance
RRT=0.63	≤ 0.5%
RRT=0.89	≤ 0.3%
RRT=1.8	≤ 0.5%
Related compound A	≤ 1.0%
Any other impurity	≤ 0.2%
Total other impurities	≤ 1.0%
Total impurities	≤ 1.5%
Assay	97.5%~101.5%

Molecular Formula: C22H19ClO3
Molecular Weight: 366.84
Hazard Symbols: N
UN Number: 3077
WGKGermany: 3
HS Code: 29147000

Molecular Weight: 366.84
Molecular Formula: C22H19ClO3
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
InChIKey: BSJMWHQBCZFXBR-UHFFFAOYSA-N
Boiling Point: 535.0±50.0 °C (Predicted)
Melting Point: 216-219 °C
Purity: 98%
Solubility: Soluble in tetrahydrofuran, DMSO
Application: Antipneumocystic
Storage: Store at -20°C
Synonyms: Mepron; Wellvone; Acuvel; 566C80; 566C; BW 566C; 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone
Description
Atovaquone is a medication used to treat or prevent pneumocystis pneumonia, toxoplasmosis, malaria, and babesia.


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