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Substance Name: Benzo(a)pyrene-7-glucuronide
RN: 82298-37-1
InChIKey: PARRUFHTMWAUMD-BFZHNPFYSA-N

Molecular Weight

  • 444.437
 
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Names and Synonyms

Synonyms

  • Benzo(a)pyrenyl-7-glucuronide
  • CCRIS 4082

Systematic Name

  • Benzo(a)pyrene-7-glucuronide

Registry Numbers

CAS Registry Number

  • 82298-37-1

System Generated Number

  • 0082298371

Structure Descriptors

InChI

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

InChIKey

PARRUFHTMWAUMD-BFZHNPFYSA-N

Smiles

c12c(cc3ccc4cccc5ccc1c3c45)c(ccc2)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O