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Substance Name: 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene
RN: 89524-80-1
InChIKey: HKORPCYPDGWFEZ-SFTDATJTSA-N

Note

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

Molecular Weight

  • 300.355
 
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Names and Synonyms

Name of Substance

  • 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene

Synonyms

  • 7,8-Ddmbp
  • trans-7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-8-methyl-, trans-

Registry Numbers

CAS Registry Number

  • 89524-80-1

System Generated Number

  • 0089524801

Structure Descriptors

InChI

1S/C21H16O2/c1-21(23)10-9-15-16-8-7-13-4-2-3-12-5-6-14(19(16)18(12)13)11-17(15)20(21)22/h2-11,20,22-23H,1H3/t20-,21-/m0/s1

InChIKey

HKORPCYPDGWFEZ-SFTDATJTSA-N

Smiles

c12c(cc3ccc4cccc5ccc1c3c45)[C@@H]([C@](C=C2)(O)C)O