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88426-33-9

Name Buparvaquone
CAS 88426-33-9
EINECS(EC#) 618-162-1
Molecular Formula C21H26O3
MDL Number MFCD01712789
Molecular Weight 326.43
MOL File 88426-33-9.mol
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Chemical Properties

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 Data

WGK Germany  3
RTECS  QJ5766600
Toxicity
LD50 orally in rats: >2 g/kg (Hudson)

Hazard Information

Spectrum Detail

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