Methylatropine nitrate

Base Information

• Chemical Name: Methylatropine nitrate
• CAS No.: 52-88-0
• Deprecated CAS: 23599-77-1,56480-80-9,64788-67-6,66027-67-6,87734-61-0,64788-67-6,66027-67-6,87734-61-0
• Molecular Formula: C18H26NO3•NO3
• Molecular Weight: 366.414
• European Community (EC) Number: 200-156-1
• UNII: Q48D9J47K2
• DSSTox Substance ID: DTXSID0045543
• NCI Thesaurus Code: C174866
• ChEMBL ID: CHEMBL516476
• Mol file: 52-88-0.mol

Synonyms:8-methylatropinium nitrate;atropine iodomethylate;atropine methonitrate;atropine methylbromide;methyl atropine;methylatropine;methylatropine bromide;methylatropine iodide;methylatropine iodide, (endo-(+-))-isomer;methylatropine iodide, (endo-3(R))-isomer;methylatropine iodide, (endo-3(S))-isomer;methylatropine iodide, 3H-labeled, (endo-(+-))-isomer;methylatropine nitrate;methylatropine nitrate, (endo-(+-))-isomer;methylatropine nitrite, (endo-(+-))-isomer;methylatropine sulfate (2:1), (endo-(+-))-isomer;methylatropine, endo-3(R)-isomer;methylatropine, endo-3(S)-isomer;N-methylatropine

Chemical Property of Methylatropine nitrate

Chemical Property:

• Melting Point: 163°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 115.41000
• Density: g/cm³
• LogP: 2.31840
• Storage Temp.: ?20°C
• Solubility.: H2O: 50 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 366.17908655
• Heavy Atom Count: 26
• Complexity: 406

Purity/Quality:

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

Atropine methyl nitrate ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T+
• Hazard Codes: Xn,T+
• Statements: 22-26/28
• Safety Statements: 22-36-45-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[N+](=O)([O-])[O-]
• Isomeric SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[N+](=O)([O-])[O-]
• Uses: antibacterial cephalosporin antimicrobial Atropine methyl nitrate has been used to suppress mucus production and respiratory secretions in rats. It has also been used to study its effects on xanomeline-induced suppression of serum tumor necrosis factor.
• Therapeutic Function: Anticholinergic, Mydriatic, Spasmolytic

Technology Process of Methylatropine nitrate

There total 5 articles about Methylatropine nitrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methyl nitrate (598-58-3) + atropine (51-55-8) → atropine methyl nitrate (52-88-0,87734-61-0)

Guidance literature:

With methanol; at 110 ℃;

Reference yield:

→ atropine methyl nitrate (52-88-0,87734-61-0)

Guidance literature:

With water; silver(l) oxide; und neutralisiert mit Salpetersaeure;

Reference yield:

→ atropine methyl nitrate (52-88-0,87734-61-0)

Guidance literature:

With silver sulfate; und behandelt das entstandene Sulfat mit Bariumnitrat oder Bleinitrat;

upstream raw materials:

methyl bromide

atropine

methyl nitrate