Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Aflatoxins
RN: 1402-68-2
InChIKey: XWIYFDMXXLINPU-UHFFFAOYSA-N

Note

  • Furano-furano-benzopyrans that are produced by ASPERGILLUS from STERIGMATOCYSTIN. They are structurally related to COUMARINS and easily oxidized to an epoxide form to become ALKYLATING AGENTS. Members of the group include AFLATOXIN B1; aflatoxin B2, aflatoxin G1, aflatoxin G2; AFLATOXIN M1; and aflatoxin M2.

Molecular Formula

  • Unspecified

Molecular Weight

  • 328.2748
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Noxae
  • Poisons
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Known to be a Carcinogen
  • Overall Carcinogenic Evaluation: Group 1
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Aflatoxins

MeSH Headings

  • Aflatoxin
  • Aflatoxins

Synonyms

  • Aflatoxin
  • HSDB 3411

Systematic Names

  • Aflatoxin
  • Aflatoxins

Superlist Name

  • Aflatoxins

Registry Numbers

CAS Registry Number

  • 1402-68-2

System Generated Number

  • 0001402682

Structure Descriptors

InChI

1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3

InChIKey

XWIYFDMXXLINPU-UHFFFAOYSA-N

Smiles

COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCOC5=O)c14

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human LDLo oral 229ug/kg/8W (0.229mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"

BEHAVIORAL: ANOREXIA (HUMAN
Lancet. Vol. 1, Pg. 1061, 1975.
monkey LD50 intramuscular 2020mg/kg (2020mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" Food and Cosmetics Toxicology. Vol. 14, Pg. 227, 1976.
monkey LD50 oral 1750ug/kg (1.75mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 227, 1976.
monkey LD50 oral 1750ug/kg (1.75mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" Food and Cosmetics Toxicology. Vol. 14, Pg. 227, 1976.
quail LDLo oral 4mg/kg (4mg/kg)   British Poultry Science. Vol. 21, Pg. 29, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.500 (none)   EST
Water Solubility 3150 mg/L 25 EST
Vapor Pressure 1.25E-10 mm Hg 25 EST
Henry's Law Constant 4.96E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.95E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.