5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt

Catalog	BBC144110430
CAS	144110-43-0
Structure
Synonyms	Magenta-GlcA CHA Salt
IUPAC Name	(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
Molecular Weight	521.79
Molecular Formula	C20H26BrClN2O7
Canonical SMILES	C1CCC(CC1)N.C1=C2C(=CC(=C1Br)Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI	InChI=1S/C14H13BrClNO7.C6H13N/c15-5-1-4-7(2-6(5)16)17-3-8(4)23-14-11(20)9(18)10(19)12(24-14)13(21)22;7-6-4-2-1-3-5-6/h1-3,9-12,14,17-20H,(H,21,22);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
InChI Key	HGZDFBMYVMPFHR-CYRSAHDMSA-N
Purity	98%
Appearance	Solid