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Substance Name: 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene
RN: 89524-81-2
InChIKey: BVPQNAFPYBTVSY-UHFFFAOYSA-N

Note

  • Putative oxidized metabolite of 8-methylbenzo(a)pyrene.

Molecular Formula

  • C21-H16-O3

Molecular Weight

  • 316.354
 
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Names and Synonyms

Name of Substance

  • 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene

Synonyms

  • 7,8-Demtbp
  • trans-7,8-Dihydroxy-anti-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene

Systematic Name

  • Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-8-methyl-, (7alpha,8beta,8aalpha,9aalpha)-

Registry Numbers

CAS Registry Number

  • 89524-81-2

System Generated Number

  • 0089524812

Structure Descriptors

InChI

1S/C21H16O3/c1-21(23)19(22)14-9-12-6-5-10-3-2-4-11-7-8-13(16(12)15(10)11)17(14)18-20(21)24-18/h2-9,18-20,22-23H,1H3

InChIKey

BVPQNAFPYBTVSY-UHFFFAOYSA-N

Smiles

c1c2ccc3c4c2c(c2c1[C@@H]([C@@]([C@@H]1[C@@H]2O1)(O)C)O)ccc4ccc3