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Substance Name: Benzo(a)pyrene-7,8-dihydrodiol 9,10-epoxide, syn-(+)-
RN: 63323-29-5
UNII: 3AP071IXF4
InChIKey: DQEPMTIXHXSFOR-NMLBUPMWSA-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, syn-(+)-

Synonyms

  • (+)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn
  • (+)-BP-7-alpha,8-beta-diol-9-alpha,10-alpha-epoxide 1
  • (+)cis-7-alpha,8-beta-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-alpha,10-alpha-epoxy-, (+)-Z-
  • BRN 4356684
  • UNII-3AP071IXF4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63323-29-5

FDA UNII

  • 3AP071IXF4

System Generated Number

  • 0063323295

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-NMLBUPMWSA-N

Smiles

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