CAS
129541-35-1 Purity
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129541-35-1 Purity
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5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt
CAS
129541-41-9
Catalog Number
ACM129541419
Category
Other Products
Molecular Weight
444.59
Molecular Formula
C14H12BrClNNaO7
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Specification
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
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
Solubility In Water
Soluble
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