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Substance Name: 3-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol
RN: 97576-08-4
InChIKey: WDHBKPKURFBUFF-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

  • 331.326
 
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Names and Synonyms

Name of Substance

  • 3-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol

Synonyms

  • 3-Nitrobenzo(a)pyrene-trans-7,8-dihydrodiol
  • CCRIS 2728
  • trans-7,8-Dihydro-3-nitrobenzo(a)pyrene-7,8-diol

Systematic Names

  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-3-nitro-, (7R,8R)-rel-
  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-3-nitro-, trans-
  • trans-7,8-Dihydro-3-nitrobenzo(a)pyrene-7,8-diol

Registry Numbers

CAS Registry Number

  • 97576-08-4

System Generated Number

  • 0097576084

Structure Descriptors

InChI

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

InChIKey

WDHBKPKURFBUFF-PXNSSMCTSA-N

Smiles

C=1[C@@H]([C@H](c2c(c3ccc4c5c3c(c2)ccc5c(cc4)[N+]([O-])=O)C1)O)O