ChemicalBook--->CAS DataBase List--->88426-33-9

88426-33-9

88426-33-9 Structure

88426-33-9 Structure
IdentificationMore
[Name]

Buparvaquone
[CAS]

88426-33-9
[Synonyms]

2-[[4-(1,1-dimethylethyl)cyclohexyl]methyl]-3-hydroxy-1,4-naphthalenedione
BUPARVAQUONE
2-((4-(1,1-dimethylethyl)cyclohexyl)methyl)-3-hydroxy-4-naphthalenedione
2-((4-tert-butylcyclohexyl)methyl)-3-hydroxy-1,4-naphthoquinone
butalex
BW-720C
[EINECS(EC#)]

618-162-1
[Molecular Formula]

C21H26O3
[MDL Number]

MFCD01712789
[Molecular Weight]

326.43
[MOL File]

88426-33-9.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow Crystalline Solid
[Melting point ]

178-184°C
[Boiling point ]

460.7±45.0 °C(Predicted)
[density ]

1.158±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO: soluble
[form ]

powder
[pka]

5.04±0.10(Predicted)
[color ]

Yellow
[Usage]

Analog of antimalarial hydroxynaphthoquinones; tert-butyl derivative of Parvaquone. Antiprotozoal (Theileria)
[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/h4-7,13-14,24H,8-12H2,1-3H3
[InChIKey]

KLLIVCPQDTYMLC-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=CC=C2)C(=O)C(O)=C1CC1CCC(C(C)(C)C)CC1
[CAS DataBase Reference]

88426-33-9(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

QJ5766600
[Toxicity]

LD50 orally in rats: >2 g/kg (Hudson)
Hazard InformationBack Directory
[Chemical Properties]

Yellow Crystalline Solid
[Uses]

Analog of antimalarial hydroxynaphthoquinones; tert-butyl derivative of Parvaquone. Antiprotozoal (Theileria)
Spectrum DetailBack Directory
[Spectrum Detail]

Buparvaquone(88426-33-9)1HNMR
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