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490-02-8

490-02-8 Structure

490-02-8 Structure
IdentificationBack Directory
[Name]

aspergillic acid
[CAS]

490-02-8
[Synonyms]

aspergillic acid
(+)-1-Hydroxy-6-(1-methylpropyl)-3-(2-methylpropyl)-2(1H)-pyrazinone
(+)-1-Hydroxy-6-(1-methylpropyl)-3-(2-methylpropyl)pyrazin-2(1H)-one
[Molecular Formula]

C12H20N2O2
[MDL Number]

MFCD00597205
[MOL File]

490-02-8.mol
[Molecular Weight]

224.3
Chemical PropertiesBack Directory
[Melting point ]

97-99° (methanol)
[alpha ]

D18 +13.3° (c = 3.9 in ethanol)
[Boiling point ]

365.71°C (rough estimate)
[density ]

1.0594 (rough estimate)
[refractive index ]

1.4760 (estimate)
[pka]

5.5(at 25℃)
[LogP]

1.810 (est)
[EPA Substance Registry System]

Pyrazinol, 6-(1-methylpropyl)-3-(2-methylpropyl)-, 1-oxide, (+)- (490-02-8)
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystals. Insoluble in cold water; soluble in common organic solvents and dilute acids. Hydrochloride melts at 178C and is soluble in water.
[Uses]

Antibiotic.
[Definition]

ChEBI: Aspergillic acid is a member of pyrazines.
[Safety Profile]

Poison by ingestion andintraperitoneal routes. When heated to decomposition itemits toxic fumes of NOx.
[Purification Methods]

It is recrystallised from MeOH and is sublimed at 80o/10-3mm. [Dutcher J Biol Chem 171 321 1947, Beilstein 24 III/IV 235.]
Safety DataBack Directory
[Toxicity]

LDLo orl-mus: 200 mg/kg JOBAAY 45,433,43
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