5-Bromo-4-chloro-3-indolyl-β-D-glucuronide

CAS Registry Number®

18656-89-8

CAS Name

5-Bromo-4-chloro-3-indolyl-β-D-glucuronide

Molecular Formula

C14H13BrClNO7

Molecular Mass

422.61

Cite this Page

5-Bromo-4-chloro-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=18656-89-8 (retrieved 2024-11-22) (CAS RN: 18656-89-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13BrClNO7/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14+/m0/s1

InChIKey

InChIKey=DHJFFLKPAYHPHU-BYNIDDHOSA-N

SMILES

O(C=1C=2C(NC1)=CC=C(Br)C2Cl)[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(Br)=C(Cl)C23)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl
  • Glucopyranosiduronic acid, 5-bromo-4-chloroindol-3-yl, β-D-
  • 5-Bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronic acid
  • 5-Bromo-4-chloro-3-indolyl-β-D-glucuronide

Deleted or Replaced CAS Registry Numbers

1384197-61-8, 1407592-38-4, 1514912-23-2, 1569540-55-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration