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Substance Name: 6-Hydroxybenzo(a)pyrene glucuronide
RN: 60262-85-3
UNII: 8UL8R08F6F
InChIKey: KFMNIRXSVPJVJN-QKBZUBFZSA-N

Molecular Weight

  • 444.437
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxybenzo(a)pyrene glucuronide

Synonyms

  • Benzo(a)pyrenyl-6-glucuronide
  • CCRIS 4081
  • UNII-8UL8R08F6F

Systematic Name

  • Benzo(a)pyrene-6-glucuronide

Registry Numbers

CAS Registry Number

  • 60262-85-3

FDA UNII

  • 8UL8R08F6F

System Generated Number

  • 0060262853

Structure Descriptors

InChI

1S/C26H20O7/c27-20-21(28)24(25(30)31)33-26(22(20)29)32-23-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(23)19(15)18(12)13/h1-11,20-22,24,26-29H,(H,30,31)/t20-,21-,22+,24-,26?/m0/s1

InChIKey

KFMNIRXSVPJVJN-QKBZUBFZSA-N

Smiles

c12c(c(c3ccc4cccc5ccc1c3c45)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)cccc2