Buparvaquone

Buparvaquone
Clinical data
ATCvet code	QP51EX03 (WHO) ;
Identifiers
	IUPAC name 2-((4-tert-Butylcyclohexyl)methyl)-3-hydroxy-1,4-naphthoquinone;
CAS Number	88426-33-9 ;
ChemSpider	10807457 ;
UNII	0354RT7LG4;
ChEMBL	ChEMBL292009 ;
CompTox Dashboard (EPA)	DTXSID4057849 ;
ECHA InfoCard	100.115.556
Chemical and physical data
Formula	C21H26O3
Molar mass	326.436 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(C)(C)C3CCC(C\C2=C(/O)C(=O)c1ccccc1C2=O)CC3;
	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 ; Key:KLLIVCPQDTYMLC-UHFFFAOYSA-N ;
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Buparvaquone is a naphthoquinone antiprotozoal drug related to atovaquone. It is a promising compound for the therapy and prophylaxis of all forms of theileriosis. Buparvaquone has been shown to have anti-leishmanial activity in vitro. It can be used to treat bovine East Coast fever protozoa in vitro, along with the only other substance known – Peganum harmala. It is the only really effective commercial therapeutic product against bovine theileriosis, where it has been used since the late 1980s.

Clinical data

ATCvet code	QP51EX03 (WHO)
Identifiers
IUPAC name 2-((4-tert-Butylcyclohexyl)methyl)-3-hydroxy-1,4-naphthoquinone
CAS Number	88426-33-9^N
ChemSpider	10807457^Y
UNII	0354RT7LG4
ChEMBL	ChEMBL292009^N
CompTox Dashboard (EPA)	DTXSID4057849
ECHA InfoCard	100.115.556
Chemical and physical data
Formula	C₂₁H₂₆O₃
Molar mass	326.436 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(C)(C)C3CCC(C\C2=C(/O)C(=O)c1ccccc1C2=O)CC3
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^Y Key:KLLIVCPQDTYMLC-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)