Products 370100-64-4

CAS 370100-64-4 appears in our catalog under these names: 5-Bromo-4-chloro-3-indoxyl-beta-D-glucuronic acid, sodium salt trihydrate, 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate, ≥95%, ≥95%. Offered by: Biosynth, Chemat. Available pack sizes: 5g, 0,5g, 1g, 2g, 10g, 250mg.

Structural formula: {0} (CAS {1})

Sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate;trihydrate (CAS 370100-64-4) is a chemical compound with the molecular formula C14H18BrClNNaO10 and a molecular weight of 498.64 g/mol. IUPAC name: sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate;trihydrate. InChIKey: KSEGXDRRKCCCGG-BTCNKGGSSA-M.

Identity
Molecular formulaC14H18BrClNNaO10
Molecular weight498.64 g/mol
IUPAC namesodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate;trihydrate
InChIKeyKSEGXDRRKCCCGG-BTCNKGGSSA-M
SMILESC1=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.O.O.O.[Na+]

Computed by PubChem (NCBI)