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Substance Name: Aflatoxin B1-2,3-oxide
RN: 42583-46-0
InChIKey: KHBXRZGALJGBPA-IRWJRLHMSA-N

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae

Molecular Formula

  • C17-H12-O7

Molecular Weight

  • 328.2748
 
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Names and Synonyms

Name of Substance

  • Aflatoxin B1-2,3-oxide

Synonyms

  • 2,3-Epoxyaflatoxin B1
  • Aflatoxin B1 2,3-epoxide
  • Aflatoxin B1 8,9-epoxide
  • Aflatoxin B1 8,9-oxide
  • Aflatoxin B1 epoxide
  • Aflatoxin B1 exo-8,9-oxide
  • BRN 5154814
  • CCRIS 5355
  • exo-Aflatoxin B1-8,9-epoxide

Systematic Names

  • Aflatoxin B1 2,3-epoxide
  • Cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6aS,7aS,8aR,8bR)-
  • Cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6aS-(6a-alpha,7a-beta,8a-beta,8b-alpha))-

Registry Numbers

CAS Registry Number

  • 42583-46-0

Other Registry Numbers

  • 117859-29-7
  • 67337-06-8
  • 90358-59-1

System Generated Number

  • 0042583460

Structure Descriptors

InChI

1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1

InChIKey

KHBXRZGALJGBPA-IRWJRLHMSA-N

Smiles

COc1cc2O[C@H]3O[C@@H]4O[C@@H]4[C@H]3c2c5OC(=O)C6=C(CCC6=O)c15