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Substance Name: 1-Hydroxybenzo(a)pyrene
RN: 13345-23-8
InChIKey: GPIRWWPRDKGKPS-UHFFFAOYSA-N

Note

  • Benzopyrene metabolite.

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H12-O

Molecular Weight

  • 268.314
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxybenzo(a)pyrene

Synonyms

  • 1-Hydroxybenzo(a)pyrene
  • 3-06-00-03808 (Beilstein Handbook Reference)
  • BRN 2380732
  • CCRIS 1070

Systematic Names

  • 1-Hydroxybenzo(a)pyrene
  • Benzo(a)pyren-1-ol

Registry Numbers

CAS Registry Number

  • 13345-23-8

System Generated Number

  • 0013345238

Structure Descriptors

InChI

1S/C20H12O/c21-18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11,21H

InChIKey

GPIRWWPRDKGKPS-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(cccc1)cc2ccc3ccc4O