Hyoscine N-oxide

Base Information

• Chemical Name: Hyoscine N-oxide
• CAS No.: 6106-81-6
• Molecular Formula: BrH*C₁₇H₂₁NO₅
• Molecular Weight: 400.269
• European Community (EC) Number: 202-606-2
• UNII: 0I3054Z711
• DSSTox Substance ID: DTXSID5046930
• Nikkaji Number: J1.856.729F,J5.263I,J108.002D
• Wikidata: Q27163550,Q27236798
• ChEMBL ID: CHEMBL1740879
• Mol file: 6106-81-6.mol

Synonyms:hyoscine N-oxide;hyoscine N-oxide hydrobromide;hyoscine N-oxide stereoisomer

Chemical Property of Hyoscine N-oxide

Chemical Property:

• Melting Point: 137 °C
• PSA: 88.49000
• LogP: 1.84760
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 319.14197277
• Heavy Atom Count: 23
• Complexity: 460

Purity/Quality:

98%,99%, ^*data from raw suppliers

Scopolamine N-Oxide Hydrobromide Monohydrate >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-]
• Isomeric SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-]