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Substance Name: 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide
RN: 111901-44-1
UNII: CT186P942O
InChIKey: PYPGXSRNRQKRQD-HCXYKTFWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H16-O3

Molecular Weight

  • 292.332
 
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Names and Synonyms

Results Name

  • 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide

Name of Substance

  • 6-Methylchrysene-1,2-diol-3,4-epoxide, (1R,2S,3S,4R)-

Synonyms

  • 1R,2S-Dihydroxy-3S,4R-epoxy-1,2,3,4-tetrahydro-5-methylchrysene
  • CCRIS 1752
  • UNII-CT186P942O

Systematic Names

  • 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide
  • Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-5-methyl-, (1R-(1-alpha,2-beta,2a-alpha,3a-alpha))-

Registry Numbers

CAS Registry Number

  • 111901-44-1

FDA UNII

  • CT186P942O

System Generated Number

  • 0111901441

Structure Descriptors

InChI

1S/C19H16O3/c1-9-8-14-12(11-5-3-2-4-10(9)11)6-7-13-15(14)18-19(22-18)17(21)16(13)20/h2-8,16-21H,1H3/t16-,17+,18-,19+/m1/s1

InChIKey

PYPGXSRNRQKRQD-HCXYKTFWSA-N

Smiles

c1c2c(cc(c3ccccc23)C)c2c([C@H]([C@@H]([C@H]3[C@H]2O3)O)O)c1