Scopolamine methyl nitrate

Base Information

• Chemical Name: Scopolamine methyl nitrate
• CAS No.: 6106-46-3
• Deprecated CAS: 16868-00-1,51-33-2,51541-33-4,7085-72-5
• Molecular Formula: C17H21NO4•CH3NO3
• Molecular Weight: 380.44
• European Community (EC) Number: 228-065-2
• UNII: K0813KQM3V
• DSSTox Substance ID: DTXSID70891260
• Wikidata: Q27281767
• NCI Thesaurus Code: C83960
• ChEMBL ID: CHEMBL1506225
• Mol file: 6106-46-3.mol

Synonyms:Bromide, N-Methylscopolamine;DD 234;DD-234;DD234;Hyoscine Methiodide;Hyoscine Methobromide;Iodide, N-Methylscopolamine;Methiodide, Hyoscine;Methobromide, Hyoscine;Methscopolamine;Methylbromide, Scopolamine;Methylchloride, N-Methylscopolamine;Methylscopolamine Nitrate;Methylscopolammonium Methylsulfate;Methylsulfate, Methylscopolammonium;Methylsulfate, N-Methylscine;Methylsulfate, N-Methylscopolamine;N Methylscine Methylsulfate;N Methylscopolamine;N Methylscopolamine Bromide;N Methylscopolamine Iodide;N Methylscopolamine Methylchloride;N Methylscopolamine Methylsulfate;N Methylscopolamine Nitrate;N-Methylscine Methylsulfate;N-Methylscopolamine;N-Methylscopolamine Bromide;N-Methylscopolamine Iodide;N-Methylscopolamine Methylchloride;N-Methylscopolamine Methylsulfate;N-Methylscopolamine Nitrate;Nitrate, Methylscopolamine;Nitrate, N-Methylscopolamine;Scopolamine Methylbromide;Skopyl;Ulix

Chemical Property of Scopolamine methyl nitrate

Chemical Property:

• Melting Point: 199 °C
• Refractive Index: -25 ° (C=1, H2O)
• Boiling Point: 460.3 ºC at 760 mmHg
• Flash Point: 232.2 ºC
• PSA: 127.94000
• Density: 1.31 g/cm³
• LogP: 1.30560
• Water Solubility.: almost transparency in Water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 380.15835111
• Heavy Atom Count: 27
• Complexity: 472

Purity/Quality:

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

(-)ScopolamineMethylnitrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,T+
• Statements: 23/24/25-26/27/28
• Safety Statements: 36/37/39-45-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[N+](=O)([O-])[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)C.[N+](=O)([O-])[O-]
• Uses: (-)Scopolamine Methylnitrate is a competitive antimuscarinic agent.