Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,2-Dihydroxy-epoxy-1,2,3,4-tetrahydro-5-methylchrysene
RN: 81851-68-5
InChIKey: ZSDQORKDUNMTQA-ZSYWTGECSA-N

Note

  • 5-methyl group increases its carcinogenic activity.

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Tumor Data

Molecular Formula

  • C19-H16-O3

Molecular Weight

  • 292.3324
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,2-Dihydroxy-epoxy-1,2,3,4-tetrahydro-5-methylchrysene

Synonyms

  • (1alpha,2beta,2aalpha,3aalpha)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol
  • anti-5-Methylchrysene-1,2-diol-3,4-epoxide
  • CCRIS 2086
  • trans-1,2-Dihydroxy-syn-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene

Systematic Names

  • anti-(+-)-trans-1,2,3,4-Tetrahydro-5-methylchrysene-1,2-diol-3,4-epoxide
  • Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1-alpha,2-beta,2a-alpha,3a-alpha)-
  • Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1R,2S,2aS,3aR)-rel-

Registry Numbers

CAS Registry Number

  • 81851-68-5

Other Registry Numbers

  • 96790-39-5
  • 97170-06-4

System Generated Number

  • 0081851685

Structure Descriptors

InChI

1S/C19H16O3/c1-9-8-10-4-2-3-5-11(10)12-6-7-13-15(14(9)12)18-19(22-18)17(21)16(13)20/h2-8,16-21H,1H3/t16-,17+,18-,19+/m0/s1

InChIKey

ZSDQORKDUNMTQA-ZSYWTGECSA-N

Smiles

c1ccc2c(c3ccc4c(c3c(c2)C)[C@@H]2[C@H]([C@@H]([C@H]4O)O)O2)c1