Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide
RN: 88598-54-3
InChIKey: AAZXENNZBMLJIW-ZMTPEHOPSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H13-N-O5

Molecular Weight

  • 347.325
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

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

Synonyms

  • (7alpha,8beta,8aalpha,9aalpha)-7,8,8a,9a-Tetrahydro-1-nitrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol
  • CCRIS 8054
  • trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydro-1-nitrobenzo(a)pyrene

Systematic Names

  • Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-1-nitro-, (7-alpha,8-beta,8a-alpha,9a-alpha)-
  • trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydro-1-nitrobenzo(a)pyrene

Registry Numbers

CAS Registry Number

  • 88598-54-3

Other Registry Number

  • 151592-32-4

System Generated Number

  • 0088598543

Structure Descriptors

InChI

1S/C20H13NO5/c22-17-12-7-9-2-1-8-3-6-13(21(24)25)10-4-5-11(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

AAZXENNZBMLJIW-ZMTPEHOPSA-N

Smiles

c12c3ccc4c5c3c(cc2[C@H]([C@@H]([C@@H]2[C@@H]1O2)O)O)ccc5ccc4[N+]([O-])=O