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Substance Name: Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)-
ID: DJ79565000
InChIKey: DQEPMTIXHXSFOR-ZGXWSNOMSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C20-H14-O3

Molecular Weight

  • 302.3276
 
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Names and Synonyms

Synonyms

  • (+-)-7-beta,8-alpha-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene, anti
  • B(a)P epoxide II

Systematic Name

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

Registry Numbers

ID Number

  • NIOSH/DJ7956500

System Generated Number

  • DJ79565000

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

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