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Buparvaquone

Buparvaquone structure

CAS No:
88426-33-9
Formula:
C21H26O3
Chemical Name:
Buparvaquone
Synonyms:
1,4-Naphthalenedione,2-[[4-(1,1-dimethylethyl)cyclohexyl]methyl]-3-hydroxy-;2-[[4-(1,1-Dimethylethyl)cyclohexyl]methyl]-3-hydroxy-1,4-naphthalenedione;Buparvaquone;Butalex
Categories:
Organic Chemistry > Quinones

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Description

Buparvaquone is a hydroxynaphthoquinone antiprotozoal drug related to parvaquone and atovaquone.

Buparvaquone Basic Attributes

Molecular Weight：

326.43

Exact Mass：

326.43

EC Number：

2017-001-1

UNII：

0354RT7LG4

DSSTox ID：

DTXSID4057849

Characteristics

PSA：

54.4

XLogP3：

5.3

Appearance：

Yellow crystalline solid

Density：

1.2±0.1 g/cm3

Melting Point：

178-184°C

Boiling Point：

460.7°C at 760 mmHg

Flash Point：

246.5±25.2 °C

Refractive Index：

1.574

Water Solubility：

DMSO: soluble

Storage Conditions：

Refrigerator

Toxicity：

LD50 orally in rats: >2 g/kg (Hudson)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

QJ5766600

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 39 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)

MeSH Entry Terms：

2-((4-tert-butylcyclohexyl)methyl)-3-hydroxy-1,4-naphthoquinone

Buparvaquone Use and Manufacturing

Analog of antimalarial hydroxynaphthoquinones; tert-butyl derivative of Parvaquone. Antiprotozoal (Theileria) Buparvaquinone can treat cattle Tyler's disease and is currently the most effective drug for the treatment of cattle Tyler's disease

Computed Properties

Molecular Weight:326.4
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:326.18819469
Monoisotopic Mass:326.18819469
Topological Polar Surface Area:54.4
Heavy Atom Count:24
Complexity:544
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 88426-33-9

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Buparvaquone

CAS No.: 88426-33-9

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