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Substance Name: 3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene
RN: 99346-47-1
InChIKey: OOAWJGIFGOEOFI-YLJYHZDGSA-N

Note

  • Biliary metabolite of 3-hydroxybenzo(a)pyrene.

Molecular Weight

  • 302.3276
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene

Synonym

  • CCRIS 4542

Systematic Name

  • trans-3,7,8-Trihydroxy-7,8-dihydrobenzo(a)pyrene

Registry Numbers

CAS Registry Number

  • 99346-47-1

System Generated Number

  • 0099346471

Structure Descriptors

InChI

1S/C20H14O3/c21-16-7-3-10-1-4-13-12-6-8-17(22)20(23)15(12)9-11-2-5-14(16)18(10)19(11)13/h1-9,17,20-23H/t17-,20-/m1/s1

InChIKey

OOAWJGIFGOEOFI-YLJYHZDGSA-N

Smiles

O[C@@H]1C=Cc2c(cc3ccc4c(O)ccc5ccc2c3c45)[C@H]1O