Aflatoxin B1
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Aflatoxin B1
structure -
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CAS No:
1162-65-8
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Formula:
C17H12O6
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Chemical Name:
Aflatoxin B1
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Synonyms:
1H,11H-Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-4-methoxy-,(6aR,9aS)-;Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6aα,9aα-tetrahydro-4-methoxy-;Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-4-methoxy-,(6aR-cis)-;1-Cyclopentene-1-carboxylic acid,2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-b]benzofuran-5-yl)-5-oxo-,δ-lactone;Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-4-methoxy-,(6aR,9aS)-;(6aR,9aS)-2,3,6a,9a-Tetrahydro-4-methoxy-1H,11H-cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione;Aflatoxin B1;AFB1;(-)-Aflatoxin B1;NSC 529592;11003-08-0;13214-11-4;27261-02-5
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CAS No:
Description
Aflatoxin B1 (AFB1) is a Class 1A carcinogen, which is a secondary metabolite of Aspergillus flavus and A. parasiticus. Aflatoxin B1 (AFB1) mainly induces the transversion of G-->T in the third position of codon 249 of the p53 tumor suppressor gene, resulting in mutation[1][2].
Characteristics
71.1
1.23 (est)
Aflatoxin b-1 appears as colorless to pale yellow crystals or white powder. Exhibits blue fluorescence. (NTP, 1992)
1.6±0.1 g/cm3
268-269 °C
528.2±50.0 °C at 760 mmHg
2 °C
1.687
In water, 16.14 mg/L at 25 deg C (est)
2-8°C
2.65X10-10 mm Hg at 25 deg C (est)
Oral-rat LD50:4.80 mg/kg; Oral-Mouse LD50: 9 mg/kg
Flammable; burning releases irritating fumes
D -558° (c = 0.1 in CHCl3); D -480° (c = 0.1 in DMF)
Safety Information
I
6.1(a)
UN 3462 6.1/PG 1
3
45-46-26/27/28-36-20/21/22-11-65-48/23/24/25-36/38-39/23/24/25-23/24/25
53-45-36-26-16-24-7-62-36/37-28
GY1925000
T+,T,Xn,F
Treasury is ventilated, low temperature and dry; stored separately from food materials
Aflatoxins b1, b2, g1, & g2 in water or chloroform solutions or in solid films were decomposed by UV irradiation.
P201-P260-P264-P280-P284-P301 + P310
H300 + H310 + H330-H350
Aflatoxin B1 Use and Manufacturing
Aflatoxin B1 is the major analogue of a family of bisfuranocoumarin mycotoxins produced by Aspergillus flavus and related species. Aflatoxin B1 exhibits a distinctive UV spectrum and blue fluorescence. Aflatoxins are among the most potent mycotoxins known but are in fact "pre-toxins", requiring metabolic activation to the toxic principle. Aflatoxins are found widely in nature in trace amounts, particularly in grains and nuts. The toxicity of these metabolites was first recognised in the 1950s and their structures elucidated in 1963. Aflatoxins have been extensively reviewed.
Computed Properties
Molecular Weight:312.27
XLogP3:1.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:312.06338810
Monoisotopic Mass:312.06338810
Topological Polar Surface Area:71.1
Heavy Atom Count:23
Complexity:650
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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