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Substance Name: 7,12-Dimethylbenz(a)anthracene-1,2-dihydrodiol
RN: 68984-91-8
InChIKey: BWXUNMMEHBERHO-XLIONFOSSA-N

Note

  • Metabolite of DMBA.

Molecular Weight

  • 290.3602
 
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Names and Synonyms

Name of Substance

  • 7,12-Dimethylbenz(a)anthracene-1,2-dihydrodiol

Synonyms

  • 1,2-Dihydrodiol-dmba
  • trans-1,2-Dihydro-1,2-dihydroxy-7,12-dimethylbenz(a)anthracene

Systematic Name

  • Benz(a)anthracene-1,2-diol, 1,2-dihydro-7,12-dimethyl-, trans-

Registry Numbers

CAS Registry Number

  • 68984-91-8

System Generated Number

  • 0068984918

Structure Descriptors

InChI

1S/C20H18O2/c1-11-14-5-3-4-6-15(14)12(2)18-16(11)9-7-13-8-10-17(21)20(22)19(13)18/h3-10,17,20-22H,1-2H3/t17-,20+/m1/s1

InChIKey

BWXUNMMEHBERHO-XLIONFOSSA-N

Smiles

Cc1c2ccccc2c(C)c3c4[C@@H](O)[C@H](O)C=Cc4ccc13