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Substance Name: 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide
RN: 111901-41-8
UNII: CXC2I96FPO
InChIKey: LMQWCOZFQUNBGM-HCXYKTFWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H16-O3

Molecular Weight

  • 292.332
 
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Names and Synonyms

Results Name

  • 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide

Name of Substance

  • 5-Methylchrysene-7,8-diol-9,10-epoxide, (7S,8R,9R,10S)-

Synonyms

  • (R,S,S,R)-anti-5-Methylchrysene-7,8-diol-9,10-epoxide
  • 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide
  • CCRIS 1751
  • UNII-CXC2I96FPO

Systematic Names

  • 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide
  • Chrysene-1,2-diol, 1,2,3,4-tetrahydro-3,4-epoxy-11-methyl-, (1R-(1-alpha,2-beta,3-beta,4-beta))-
  • Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-10-methyl-, (1R-(1alpha,2beta,2aalpha,3aalpha))- (9CI)

Registry Numbers

CAS Registry Number

  • 111901-41-8

FDA UNII

  • CXC2I96FPO

System Generated Number

  • 0111901418

Structure Descriptors

InChI

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

InChIKey

LMQWCOZFQUNBGM-HCXYKTFWSA-N

Smiles

c1(c2c(ccc3ccccc23)c2c([C@H]([C@@H]([C@H]3[C@H]2O3)O)O)c1)C