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Substance Name: BPDE-II
RN: 58917-91-2
UNII: 8942B964DU
InChIKey: DQEPMTIXHXSFOR-ZGXWSNOMSA-N

Note

  • A DNA adduct.

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C20-H14-O3

Molecular Weight

  • 302.328
 
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Names and Synonyms

Results Name

  • BPDE-II

Name of Substance

  • BPDE-II

Synonyms

  • (+-)-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn-
  • (+/-)-syn-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+/-)-syn-BPDE
  • 5-17-05-00496 (Beilstein Handbook Reference)
  • B(a)P epoxide I
  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)-
  • BPDE II
  • BPDE-syn
  • BRN 4237437
  • CCRIS 796
  • CCRIS 9120
  • syn-Benzo(a)pyrene-7,8-diol-9,10-oxide
  • syn-Benzo(a)pyrene-diolepoxide
  • syn-BP-diolepoxide
  • UNII-8942B964DU

Systematic Names

  • Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI)
  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)-
  • syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide

Registry Numbers

CAS Registry Number

  • 58917-91-2

FDA UNII

  • 8942B964DU

Other Registry Number

  • 60268-86-2

System Generated Number

  • 0058917912

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+/m0/s1

InChIKey

DQEPMTIXHXSFOR-ZGXWSNOMSA-N

Smiles

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