1-Hydroxypyrene glucuronide

CAS Registry Number®

154717-05-2
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CAS Name

1-Hydroxypyrene glucuronide

Molecular Formula

C22H18O7

Molecular Mass

394.37

Cite this Page

1-Hydroxypyrene glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154717-05-2 (retrieved 2024-06-26) (CAS RN: 154717-05-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1

InChIKey

InChIKey=BUCREAQPYGLZLI-SXFAUFNYSA-N

SMILES

O(C1=C2C3=C4C(=CC=C3C=C1)C=CC=C4C=C2)[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(O)C1OC(OC2=CC=C3C=CC4=CC=CC=5C=CC2=C3C45)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 1-pyrenyl
  • 1-Pyrenyl β-D-glucopyranosiduronic acid
  • 1-Hydroxypyrene glucuronide

Deleted or Replaced CAS Registry Numbers

313055-21-9

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