Structure

Buparvaquone

CAS
88426-33-9
Catalog Number
ACM88426339
Category
Inhibitors
Molecular Weight
326.43
Molecular Formula
C21H26O3

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Specification

Description
Buparvaquone is a hydroxynaphthoquinone antiprotozoal agent related to parvaquone and atovaquone.
Synonyms
1,4-Naphthalenedione, 2-[[4-(1,1-Dimethylethyl)Cyclohexyl]Methyl]-3-Hydroxy-
IUPAC Name
3-[(4-tert-butylcyclohexyl)methyl]-4-hydroxynaphthalene-1,2-dione
Canonical SMILES
CC(C)(C)C1CCC(CC1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O
InChI
InChI=1S/C21H26O3/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)24/h4-7,13-14,22H,8-12H2,1-3H3
InChI Key
NEGDTWQGGLJCTL-UHFFFAOYSA-N
Boiling Point
460.7±45.0 °C at 760 mmHg
Melting Point
178-184 ºC
Flash Point
246.5±25.2 °C
Density
1.2±0.1 g/cm3
Appearance
Crystalline
Storage
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Exact Mass
326.18800
Refractive Index
1.574
Shipping
Can be shipped at room temperature, where not in use may vary.
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