Atropine Sulphate

Analyte Name

Atropine sulfate hydrate

CAS Number

5908-99-6

Molecular Formula

2 C17 H23 N O3 . H2 O . H2 O4 S

Molecular Weight

694.83

Accurate Mass

694.3135

SMILES

O.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@@H](CO)c3ccccc3.CN4[C@@H]5CC[C@H]4C[C@H](C5)OC(=O)[C@@H](CO)c6ccccc6.OS(=O)(=O)O

InChI

, /m00../s1, /h2*2-6,13-16,19H,7-11H2,1H3, (H2,1,2,3,4), 1-5(2,3)4, InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12, 1H2/t2*13-,14+,15+,16-

IUPAC

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate

Alternate CAS Number

Free base: 51-55-8

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Product Type

API; Impurity

Product Format

Neat

API Family

Atropine