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Substance Name: Benzo(a)pyrene-7,8-diol, 7,8-dihydro-1-nitro-, trans-
ID: DJ63102750
InChIKey: SAMPKXSEJLLYLT-PXNSSMCTSA-N

Note

  • Used to treat tumorigenicity and liver tumor ras-protooncogene mutations in CD-1 mice.

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H13-N-O4

Molecular Weight

  • 331.3257
 
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Names and Synonyms

Synonyms

  • (E)-7,8-Dihydro-1-nitrobenzo(a)pyrene-7,8-diol
  • 1-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol
  • trans-7,8-Dihydroxy-7,8-dihydro-1-nitrobenzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-1-nitro-, trans-

Registry Numbers

ID Number

  • NIOSH/DJ6310275

System Generated Number

  • DJ63102750

Structure Descriptors

InChI

1S/C20H13NO4/c22-17-8-6-12-13-4-5-14-16(21(24)25)7-3-10-1-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-9,17,20,22-23H/t17-,20-/m0/s1

InChIKey

SAMPKXSEJLLYLT-PXNSSMCTSA-N

Smiles

O[C@H]1C=Cc2c(cc3ccc4ccc(c5ccc2c3c45)[N+](=O)[O-])[C@@H]1O