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Substance Name: Dimethylbenz(a)anthracene-8,9-diol-10,11-epoxide
RN: 65763-31-7
UNII: 2BAS8CW4GF
InChIKey: HPHSHHQQIRFIJX-QYRWZOIFSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H18-O3

Molecular Weight

  • 306.359
 
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Names and Synonyms

Results Name

  • Dimethylbenz(a)anthracene-8,9-diol-10,11-epoxide

Name of Substance

  • 8,9,10,11-Tetrahydro-7,12-dimethylbenz(a)anthracene-8,9-diol-10-11-epoxide, anti-

Synonyms

  • 7,12-Dimethylbenz(a)anthracene-8,9-diol-10-11-epoxide, anti
  • BRN 1397481
  • CCRIS 993
  • UNII-2BAS8CW4GF

Systematic Names

  • Benz(7,8)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-4,11-dimethyl-, (1a-alpha,2-beta,3-alpha,11b-alpha)-
  • Dimethylbenz(a)anthracene-8,9-diol-10,11-epoxide

Registry Numbers

CAS Registry Number

  • 65763-31-7

FDA UNII

  • 2BAS8CW4GF

System Generated Number

  • 0065763317

Structure Descriptors

InChI

1S/C20H18O3/c1-9-12-8-7-11-5-3-4-6-13(11)14(12)10(2)16-15(9)17(21)18(22)20-19(16)23-20/h3-8,17-22H,1-2H3/t17-,18+,19+,20?/m1/s1

InChIKey

HPHSHHQQIRFIJX-QYRWZOIFSA-N

Smiles

c12[C@H]3[C@@H]([C@@H](O)[C@@H](c1c(c1ccc4c(c1c2C)cccc4)C)O)O3