5-Bromo-4-chloro-3-indolylglucuronide
(2S,3S,4S,5R)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Bci-3 glud|X-Gluc|5-Bromo-4-chloro-3-indolylglucuronide|5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt|(2S,3S,4S,5R)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|Glucopyranosiduronic acid, 5-bromo-4-chloroindol-3-yl, beta-D-
| Molecular Formula | C14H13BrClNO7 |
|---|---|
| Molecular Weight | 420.9564 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.9564 |
| Monoisotopic Mass | 420.9564 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 18656-89-8 |
|---|---|
| SMILES | C1=CC(=C(C2=C1NC=C2OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br |
| InChIKey | DHJFFLKPAYHPHU-ZAOAHOKWSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-4-chloro-3-indolylglucuronide (CAS 18656-89-8), with molecular formula C14H13BrClNO7 and molecular weight 420.9564 g/mol. IUPAC: (2S,3S,4S,5R)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
5-Bromo-4-chloro-3-indolylglucuronide is a custom synthesis product. We offer services from milligram to kilogram scale.
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