5-Bromo-4-chloro-3-indolyl-β-D-glucuronide
CAS Registry Number®
18656-89-8
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CAS Name
5-Bromo-4-chloro-3-indolyl-β-D-glucuronideMolecular Formula
C14H13BrClNO7Molecular Mass
422.61Cite 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/ChemicalDetail.aspx?ref=18656-89-8 (retrieved ) (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
