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Substance Name: Benzo(a)pyrene-7,8-dihydrodiol 9,10-epoxide, anti-(+)-
RN: 63323-31-9
UNII: RZT81YA9NW
InChIKey: DQEPMTIXHXSFOR-WCIQWLHISA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C20-H14-O3

Molecular Weight

  • 302.328
 
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Names and Synonyms

Name of Substance

  • Benzo(a)pyrene-7,8-dihydrodiol 9,10-epoxide, anti-(+)-

Synonyms

  • (+)-7R,8S-Dihydroxy-9S,10R-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+)-anti-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+)-anti-BPDE
  • (+)-Benzo(a)pyrene-7,8-diol-9,10-epoxide- (anti)
  • (+)-BP-7-beta,8-alpha-diol-9-alpha,10-alpha-epoxide 2
  • (+)-BPDE
  • (+)-trans-7-beta,8-alpha-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-beta,10-beta-epoxy-, (+)-E-
  • Benzo(a)pyrene-7,8-diol-9,10-epoxide, 7R-anti
  • CCRIS 977
  • UNII-RZT81YA9NW

Systematic Names

  • (+)-7alpha,8beta-Dihydroxy-9alpha,10alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-alpha,10-alpha-epoxy-, (+)-E-

Registry Numbers

CAS Registry Number

  • 63323-31-9

FDA UNII

  • RZT81YA9NW

Other Registry Number

  • 91327-01-4

System Generated Number

  • 0063323319

Structure Descriptors

InChI

1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m1/s1

InChIKey

DQEPMTIXHXSFOR-WCIQWLHISA-N

Smiles

c12c3c4c5c(cccc5ccc4cc2[C@@H](O)[C@@H]([C@H]2[C@H]1O2)O)cc3