(6-Chloro-3-indolyl)-β-D-glucuronide cyclohexylammonium salt

CAS	138182-20-4
Structure
Synonyms	Salmon-GlcA CHA salt, Salmon-Gluc CHA salt
IUPAC Name	(2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
Molecular Weight	442.89
Molecular Formula	C20H27ClN2O7
Canonical SMILES	C1CCC(CC1)N.C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI	InChI=1S/C14H14ClNO7.C6H13N/c15-5-1-2-6-7(3-5)16-4-8(6)22-14-11(19)9(17)10(18)12(23-14)13(20)21;7-6-4-2-1-3-5-6/h1-4,9-12,14,16-19H,(H,20,21);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
InChI Key	CGXWVPSZSVEFAI-CYRSAHDMSA-N
Purity	98%
Appearance	Solid