5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt

• Catalog Number: ACM129541419
• Product Name: 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt
• CAS: 129541-41-9
• Category: Heterocyclic Organic Compound
• Synonyms: X-GlcA CHA salt
• IUPAC Name: Sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
• Molecular Weight: 444.59
• Molecular Formula: C14H12BrClNNaO7
• Canonical SMILES: C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]
• InChI: InChI=1S/C14H13BrClNO7.Na/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);/q;+1/p-1/t9-,10-,11+,12-,14+;/m0./s1
• InChI Key: IBLSVGDGSKUDCT-CYRSAHDMSA-M
• Melting Point: 228-230 °C
• Appearance: Solid