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Substance Name: 3-Nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide
RN: 149559-16-0
InChIKey: IRRRBEKHSFTNCO-WCIQWLHISA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H13-N-O5

Molecular Weight

  • 347.3247
 
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Names and Synonyms

Name of Substance

  • 3-Nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide

Synonyms

  • (7alpha,8beta,8aalpha,9aalpha)-7,8,8a,9a-Tetrahydro-3-nitrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol
  • 7,8,8a,9a-Tetrahydro-3-nitrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol (7alpha,8beta,8aalpha,9aalpha)-
  • CCRIS 8055
  • trans-7,8-Dihydroxy-9.10-epoxy-7,8,9,10-tetrahydro-3-nitrobenzo(a)pyren E
  • trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydro-3-nitrobenzo(a)pyrene

Systematic Names

  • Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-3-nitro-, (7-alpha,8-beta,8a-alpha,9a-alpha)-
  • trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydro-3-nitrobenzo(a)pyrene

Registry Numbers

CAS Registry Number

  • 149559-16-0

System Generated Number

  • 0149559160

Structure Descriptors

InChI

1S/C20H13NO5/c22-17-12-7-9-2-4-10-13(21(24)25)6-3-8-1-5-11(15(9)14(8)10)16(12)19-20(26-19)18(17)23/h1-7,17-20,22-23H/t17-,18+,19-,20+/m1/s1

InChIKey

IRRRBEKHSFTNCO-WCIQWLHISA-N

Smiles

O[C@H]1[C@H](O)c2cc3ccc4c(ccc5ccc(c2[C@H]6O[C@@H]16)c3c45)[N+](=O)[O-]