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Substance Name: Benzo(a)pyrene diolepoxide I
RN: 58917-67-2
UNII: L0951YSJ5E
InChIKey: DQEPMTIXHXSFOR-WCIQWLHISA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C20-H14-O3

Molecular Weight

  • 302.3276
 
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Names and Synonyms

Name of Substance

  • Benzo(a)pyrene diolepoxide I

Synonyms

  • (+)-7beta,8alpha-Dihydroxy-9alpha,10alpha-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+-)-(E)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+-)-anti-BPDE
  • (+-)-trans-7,8-Dihydroxy-trans-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+-)anti-7beta,8alpha-Dihydroxy-9alpha,10alpha-epoxy-7,8,9,10-tetrahyrobenzo(a)pyrene
  • (+/-)-anti-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+/-)-Anti-benzo(a)pyrenediol epoxide
  • (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, anti-
  • (+/-)-trans-7,8-Dihydrobenzo(a)pyrene-7,8-diol-9,10-epoxide (anti)
  • 7beta,8alpha-Dihydroxy-9alpha,10alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • anti-Benzo(a)pyrene-7,8-diol-9,10-oxide
  • anti-Benzo(a)pyrene-diolepoxide
  • anti-BP-diolepoxide
  • anti-r-7,t-8-Dihydroxy-t-9,10-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7R,8S,8aS,9aR)-rel-
  • Benzo(a)pyrene diol epoxide
  • Benzo(a)pyrene diol epoxide anti
  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7,8-dihydroxy-9,10-epoxy-, (E)-
  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-9-beta,10-beta-epoxy-7-alpha,8-beta-dihydroxy-, (+-)-
  • BP 7,8-Diol-9,10-epoxide 2
  • BP diol epoxide anti
  • BPDE
  • BPDE-II
  • CCRIS 795
  • CCRIS 8053
  • r-7,t-8-Dihydroxy-c-9,10-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • r-7,t-8-dihydroxy-t-9,10-epoxy-7,8,9,10-tetrahydro- benzo(a)pyrene,(+ -)
  • trans-7,8-Dihydroxy-9,10-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • UNII-L0951YSJ5E

Systematic Names

  • anti-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide
  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7,8-dihydroxy-9,10-epoxy-, anti-
  • trans-7,8-Dihydroxy-anti-9-10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene

Registry Numbers

CAS Registry Number

  • 58917-67-2

FDA UNII

  • L0951YSJ5E

Other Registry Numbers

  • 111137-80-5
  • 143785-32-4
  • 60268-85-1

System Generated Number

  • 0058917672

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

O[C@@H]1[C@@H]2O[C@@H]2c3c(cc4ccc5cccc6ccc3c4c56)[C@H]1O