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Substance Name: Benzo(e)pyrene, 9,10,11,12-tetrahydro-9-alpha,10-beta-dihydroxy-11-alpha,12-alpha-epoxy-, (+-)-
RN: 74465-36-4
InChIKey: WDFBJZJMHQXNPD-HAEOHBJNSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C20-H14-O3

Molecular Weight

  • 302.328
 
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Names and Synonyms

Synonyms

  • (+-)-9-alpha,10-beta-Dihydroxy-11-alpha,12-alpha-epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene
  • B(e)P diol epoxide-1

Systematic Name

  • Benzo(e)pyrene, 9,10,11,12-tetrahydro-9-alpha,10-beta-dihydroxy-11-alpha,12-alpha-epoxy-, (+-)-

Registry Numbers

CAS Registry Number

  • 74465-36-4

System Generated Number

  • 0074465364

Structure Descriptors

InChI

1S/C20H14O3/c21-13-7-6-11-8-10-5-4-9-2-1-3-12-14(9)15(10)17(16(11)18(13)22)20-19(12)23-20/h1-8,13,18-22H/t13-,18+,19+,20-/m0/s1

InChIKey

WDFBJZJMHQXNPD-HAEOHBJNSA-N

Smiles

c12c3c4c(cccc4ccc3cc3c2[C@@H]([C@@H](O)C=C3)O)[C@@H]2[C@@H]1O2