Analyte Name

3-Hydroxy Xanomeline-beta-O-D-glucuronide

Molecular Formula

C20 H31 N3 O8 S

Molecular Weight

473.54

Accurate Mass

473.183

SMILES

CCC(CCCOc1nsnc1C2=CCCN(C)C2)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O

InChI

InChI=1S/C20H31N3O8S/c1-3-12(30-20-16(26)14(24)15(25)17(31-20)19(27)28)7-5-9-29-18-13(21-32-22-18)11-6-4-8-23(2)10-11/h6,12,14-17,20,24-26H,3-5,7-10H2,1-2H3,(H,27,28)/t12?,14-,15-,16+,17-,20+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[6-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-yloxy]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat