Benztropine mesylate - ≥98% , CAS No.132-17-2

CAS: 132-17-2 Cat. No.: B129216 Molecular Weight: 403.53 EC Number: 205-048-8

GRADE & PURITY ≥98%

Synonyms

3-Diphenyl methoxytropane methanesulfonate | NCGC00016118-01 | NSC-42199 | 3-Diphenylmethoxytropane mesylate | endo-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octanemethanesulfonate | WMJ8TL7510 | 8-Azabicyclo(3.2.1)octane, 3-(diphenylmethoxy)-8-meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Benztropine is a dopamine transporter (DAT) inhibitor with IC50 of 118 nM.
An antagonist of the mAChR.

Specifications

Synonyms

3-Diphenyl methoxytropane methanesulfonate | NCGC00016118-01 | NSC-42199 | 3-Diphenylmethoxytropane mesylate | endo-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octanemethanesulfonate | WMJ8TL7510 | 8-Azabicyclo(3.2.1)octane, 3-(diphenylmethoxy)-8-meth

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Benztropine mesylate is a derivative of Atropine and an antagonist of the mAChR (muscarinic acetylcholine receptor). This compound demonstrates anti-muscarinic effects comparable to Atropine, and also demonstrates competitive anti-nicotinic action at the

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194332
• Canonical Smiles: CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O
• IUPAC Name: (1S,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
• InChIKey: CPFJLLXFNPCTDW-IIPFOPBBSA-N
• INCHI: 1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19+,20?
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O
• WGK Germany: 3
• RTECS: YM3150000
• Molecular Weight: 403.53
• Reaxy-Rn: 4081442
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4081442&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Tropane alkaloids Benzylethers Piperidines N-alkylpyrrolidines Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Diphenylmethane - Benzylether - Tropane alkaloid - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• 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).
• Sensitivity: Heat Sensitive
• Melt Point(°C): 135°C
• Molecular Weight: 403.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 403.182 Da
• Monoisotopic Mass: 403.182 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 433.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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