Chemical Compound

C17H21NO4.BrH.3/2H2O

CAS Registry Number 152612-85-6
C17H21NO4.BrH.3/2H2O chemical structure
Primary Record

C17H21NO4.BrH.3/2H2O

In stock
4,686 g
Purity
99.5 %
CAS
152612-85-6

Compound Identifiers & Properties

CAS
152612-85-6
PubChem CID
177942
SMILES
CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br.Br
Canonical SMILES
Br.Br.CN1[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12.CN1[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12.O.O.O

Names & Synonyms

  • C17H21NO4.BrH.3/2H2O
  • (-)-scopolamine hydrobromide sesquihydrate
  • C17-H21-N-O4.Br-H.3/2H2-O
  • 152612-85-6