3-Indolyl-β-D-glucuronide

CAS Registry Number®

35804-66-1

CAS Name

3-Indolyl-β-D-glucuronide

Molecular Formula

C14H15NO7

Molecular Mass

309.27

Cite this Page

3-Indolyl-β-D-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35804-66-1 (retrieved 2024-11-25) (CAS RN: 35804-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1

InChIKey

InChIKey=KUYNOZVWCFXSNE-BYNIDDHOSA-N

SMILES

O(C=1C=2C(NC1)=CC=CC2)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)C1OC(OC2=CNC=3C=CC=CC23)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 1H-indol-3-yl
  • 1H-Indol-3-yl β-D-glucopyranosiduronic acid
  • Indolyl 3-glucuronide
  • Indoxyl β-D-glucuronide
  • Indol-3-yl β-D-glucosiduronic acid

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Deleted or Replaced CAS Registry Numbers

95983-48-5, 149231-45-8, 209347-91-1

CAS INSIGHTSTM
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