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Substance Name: Aflatoxin B1-8,9-dichloride
RN: 119718-03-5
InChIKey: TWAYMZIMOFMBAE-PXAZEXFGSA-N

Note

  • Used as a model for aflatoxin B1 epoxide; reacts at the N7 position of guanine to form bulky adducts that lie in the major groove of DNA.

Molecular Formula

  • C17-H10-Cl2-O6

Molecular Weight

  • 381.166
 
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Names and Synonyms

Name of Substance

  • Aflatoxin B1-8,9-dichloride

Synonyms

  • Afb1-8,9-dichloride
  • Afb1Cl2
  • Aflatoxin-B1-8,9-dichloride

Systematic Name

  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,9a-tetrahydro-4-methoxy-, (6aS-cis)-

Registry Numbers

CAS Registry Number

  • 119718-03-5

System Generated Number

  • 0119718035

Structure Descriptors

InChI

1S/C17H10Cl2O6/c1-22-7-4-8-11(12-13(18)15(19)25-17(12)23-8)14-10(7)5-2-3-6(20)9(5)16(21)24-14/h4,12,17H,2-3H2,1H3/t12-,17+/m1/s1

InChIKey

TWAYMZIMOFMBAE-PXAZEXFGSA-N

Smiles

COc1cc2O[C@H]3OC(=C(Cl)[C@H]3c2c4OC(=O)C5=C(CCC5=O)c14)Cl