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Substance Name: Benzo(a)pyrene-3,6-quinol monoglucuronide
RN: 97387-24-1
InChIKey: XZAGDEZGFQNXIS-SNYRDRRFSA-N

Note

  • Found in rat liver microsomes.

Molecular Formula

  • C26-H20-O8

Molecular Weight

  • 460.436
 
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Names and Synonyms

Name of Substance

  • Benzo(a)pyrene-3,6-quinol monoglucuronide

Synonyms

  • Benzo(a)pyrene-3,6-quinol glucuronide
  • BP-3,6-Quinol-GL

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 3(or 6)-hydroxybenzo(a)pyren-6(or 3)-yl

Registry Numbers

CAS Registry Number

  • 97387-24-1

System Generated Number

  • 0097387241

Structure Descriptors

InChI

1S/C26H20O8/c27-17-10-6-11-5-7-13-12-3-1-2-4-14(12)23(16-9-8-15(17)18(11)19(13)16)33-26-22(30)20(28)21(29)24(34-26)25(31)32/h1-10,20-22,24,26-30H,(H,31,32)/t20-,21-,22+,24-,26+/m0/s1

InChIKey

XZAGDEZGFQNXIS-SNYRDRRFSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)c1c2c(c3ccc4ccc(c5ccc1c3c45)O)cccc2