1,8-Dihydroxy-4,5-dinitroanthraquinone

CAS No. 81-55-0

Formula: C14H6N2O8
Basic Info

1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione is a NS2B-NS3 protease specific inhibitor that is used for treatment of Dengue and West Nile virus infections.

Formula
C14H6N2O8
Molecular Weight
330.206
Exact Mass
330.012
LogP
2.736
PSA
166.24
Synonyms

4,5-Dinitrochrysazin

4,5 DINITROCHRYSAZINE

1,8-dihydroxy-4,5-dinitro-9,10-anthracenedione

1,8-dihydroxy-4,5-dinitro-anthraquinon

1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione

9,10-Anthracenedione, 1,8-dihydroxy-4,5-dinitro-

1,8-Dihydroxy-4,5-dinitro-anthrachinon

1,8-dihydroxy-4,5-dinitro-anthraquinone

4,5-Dinitrodanthron

1,8 DIHYDROXY 4,5 DINITRO AQ

Dihydroxy-4,5-dinitroanthraquinone

1,8-Dihydroxy-4,5-di

4,5-dinitro-1,8-dihydroxyanthraquinone

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Properties
Appearance & Physical State
Brownish gold solid.
Density
1.838 g/cm3
Boiling Point
669.4ºC at 760 mmHg
Melting Point
225ºC (dec.)
Flash Point
280.9ºC
Refractive Index
1.782
Stability
Stable. Incompatible with strong oxidizing agents.
Storage Condition
Store in a cool, dry place. Store in a tightly closed container.
Safety Info
RTECS
CB6700000
Safety Statements
S26-S36
WGK Germany
3
Risk Statements
R36/37/38
HS Code
2914700090
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : Predict
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Mass Spectrum Mass spectrum (electron ionization)
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Synthesis Route
Precursor
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intravenous
Species Observed
Rodent - mouse
Dose/Duration
180 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01788
MUTATION DATA
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Type of Test
Mutation in microorganisms
Exposure Route
Species Observed
Dose/Duration
10 ug/plate
Toxic Effects
--
Reference
Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987
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