3-Diphenylmethoxytropane mesylate

Base Information

• Chemical Name: 3-Diphenylmethoxytropane mesylate
• CAS No.: 132-17-2
• Molecular Formula: C21H25NO^.CH4O3S
• Molecular Weight: 403.543
• Hs Code.: 2939800000
• European Community (EC) Number: 205-048-8
• NCI Thesaurus Code: C28864
• RXCUI: 18927
• Mol file: 132-17-2.mol

Synonyms:Apo Benztropine;Apo-Benztropine;Bensylate;Benzatropine;Benzatropine Mesylate;Benzatropine Methanesulfonate;Benzatropine Methanesulfonate, Hydrobromide;Benzatropine Methanesulfonate, Hydrobromide, (endo)-Isomer;Benzatropine Methanesulfonate, Hydrochloride, (endo)-Isomer;Benztropine;Benztropine Mesylate;Cogentin;Cogentinol;Hydrobromide Benzatropine Methanesulfonate;Mesylate, Benzatropine;Mesylate, Benztropine;Methanesulfonate, Benzatropine;Methanesulfonate, Hydrobromide Benzatropine;N Methylbenztropine;N-Methylbenztropine;PMS Benztropine;PMS-Benztropine

Chemical Property of 3-Diphenylmethoxytropane mesylate

Chemical Property:

• Appearance/Colour: White to off-white solid
• Vapor Pressure: 7.83E-13mmHg at 25°C
• Melting Point: 135 °C(lit.)
• Boiling Point: 547.8 °C at 760 mmHg
• Flash Point: 285.1 °C
• PSA: 75.22000
• LogP: 4.94050
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble20mg/mL, clear
• Water Solubility.: Soluble in water (81 mg/ml at 25°C), DMSO (50 mg/ml at 25°C), ethanol (81 mg/ml at 25°C), and ether (very slightly).
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 403.18172958
• Heavy Atom Count: 28
• Complexity: 433

Purity/Quality:

99.9% ^*data from raw suppliers

BenzotropineMesylate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O
• Isomeric SMILES: CN1[C@@H]2CC[C@@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O
• Recent ClinicalTrials: A Phase II/III Double-Blind Study of Amitriptyline and Mexiletine for Painful Neuropathy in HIV Infection
• Description: Benztropine mesylate (132-17-2) is a centrally acting M1?muscarinic acetylcholine receptor antagonist (Ki=0.59 nM, rat).1?Also inhibits the dopamine transporter (Ki=160 nM).2?Benztropine mesylate enhances remyelination and significantly decreases clinical severity in the experimental autoimmune encephalomyelitis model of relapsing-remitting multiple sclerosis alone or in combination with immunosuppressive agents.3?Inhibits hepatitis C virus infection.4
• Uses: Used as an antiparkinsonian. Benztropine mesylate is an anti-histamine and dopamine re-uptake inhibitor. It has been used to study its target identification and mode of action against ebolavirus infection. It has also been used in pharmacological animal studies to evaluate its effect on SLC6A19 (solute carrier family 6 member 19; B0AT1). Benzotropine methanesulfonate is used to treat the symptoms of Parkinson?s disease and is currently in clincial trials for chronic back pain. It shows anti-muscarinic effects comparable to Atropine, and also demonstrates competitive anti-nicotinic action at the nAChR (nicotinic acetylcholine receptor).
• Therapeutic Function: Antiparkinsonian
• Clinical Use: The tremor and rigidity characteristic of parkinsonismare relieved by benztropine mesylate, and it is particularlyvaluable for those patients who cannot tolerate central excitation(e.g., aged patients). It may also have a useful effectin minimizing drooling, sialorrhea, masklike facies, oculogyriccrises, and muscular cramps.The usual caution exercised with any anticholinergic inglaucoma and prostatic hypertrophy is observed with thisdrug.