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Substance Name: Benzo(a)pyrene-1-glucuronide
RN: 60262-82-0
InChIKey: XRYGKGIHRSWJQE-BFZHNPFYSA-N

Molecular Weight

  • 444.437
 
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Names and Synonyms

Synonyms

  • Benzo(a)pyrenyl-1-glucuronide
  • CCRIS 4080

Systematic Name

  • Benzo(a)pyrene-1-glucuronide

Registry Numbers

CAS Registry Number

  • 60262-82-0

System Generated Number

  • 0060262820

Structure Descriptors

InChI

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

InChIKey

XRYGKGIHRSWJQE-BFZHNPFYSA-N

Smiles

c12c(cc3ccc4ccc(c5ccc1c3c45)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)cccc2