Analyte Name

Rotigotine N-Oxide Hydrochloride

CAS Number

2708278-88-8

Molecular Formula

C19 H25 N O2 S . Cl H

Molecular Weight

367.93

Accurate Mass

367.1373

SMILES

Cl.CCC[N+]([O-])(CCc1cccs1)[C@H]2CCc3c(O)cccc3C2

InChI

InChI=1S/C19H25NO2S.ClH/c1-2-11-20(22,12-10-17-6-4-13-23-17)16-8-9-18-15(14-16)5-3-7-19(18)21;/h3-7,13,16,21H,2,8-12,14H2,1H3;1H/t16-,20?;/m0./s1

IUPAC

(2S)-5-hydroxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine oxide;hydrochloride

Alternate CAS Number

2708278-87-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat