(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-2,3-dihydroxy-2-phenylpropanoate;hydrobromide

Base Information

• Chemical Name: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-2,3-dihydroxy-2-phenylpropanoate;hydrobromide
• CAS No.: 76822-34-9
• Molecular Formula: C17H22BrNO5
• Molecular Weight: 400.27
• European Community (EC) Number: 683-237-8
• Mol file: 76822-34-9.mol

Synonyms:anisodine;anisodine hydrobromide;anisodine hydrochloride

Chemical Property of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-2,3-dihydroxy-2-phenylpropanoate;hydrobromide

Chemical Property:

• Appearance/Colour: White crystals or crystalline powder
• Boiling Point: 495 °C at 760 mmHg
• Flash Point: 253.2 °C
• PSA: 82.53000
• LogP: 0.91810
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 399.06814
• Heavy Atom Count: 24
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

AnisodineHydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)(C4=CC=CC=C4)O.Br
• Isomeric SMILES: CN1C2CC(CC1C3C2O3)OC(=O)[C@@](CO)(C4=CC=CC=C4)O.Br
• Recent ClinicalTrials: Anisodine Hydrobromide For The Preventive Treatment Of Episodic Migraine
• Uses: Hydrobromide salt of Anisodine a belladonna alkaloid. Acts as an anticholinergic agent.