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Substance Name: Benzo(a)pyrene-9-glucuronide
RN: 60262-87-5
InChIKey: XEDZOKHSJROQER-BFZHNPFYSA-N

Molecular Weight

  • 444.437
 
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Names and Synonyms

Synonyms

  • Benzo(a)pyrenyl-9-glucuronide
  • CCRIS 4083

Systematic Name

  • Benzo(a)pyrene-9-glucuronide

Registry Numbers

CAS Registry Number

  • 60262-87-5

System Generated Number

  • 0060262875

Structure Descriptors

InChI

1S/C26H20O7/c27-21-22(28)24(25(30)31)33-26(23(21)29)32-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21-24,26-29H,(H,30,31)/t21-,22-,23+,24-,26?/m0/s1

InChIKey

XEDZOKHSJROQER-BFZHNPFYSA-N

Smiles

c12c(cc3ccc4cccc5ccc1c3c45)ccc(c2)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O