(1R,3S,5S)-3-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8,8-dimethyl-8-azabicyclo[3.2.1]oct-6-en-8-ium Bromide

Analyte Name

(1R,3S,5S)-3-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8,8-dimethyl-8-azabicyclo[3.2.1]oct-6-en-8-ium Bromide

CAS Number

136310-95-7

Molecular Formula

C19 H22 N O3 S2 . Br

Molecular Weight

456.42

Accurate Mass

455.0224

SMILES

[Br-].C[N+]1(C)[C@@H]2C[C@H](C[C@H]1C=C2)OC(=O)C(O)(c3cccs3)c4cccs4

InChI

InChI=1S/C19H22NO3S2.BrH/c1-20(2)13-7-8-14(20)12-15(11-13)23-18(21)19(22,16-5-3-9-24-16)17-6-4-10-25-17;/h3-10,13-15,22H,11-12H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+;

IUPAC

[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Tiotropium Bromide

Purity

>95% (HPLC)