3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide

• ChemBase ID: 120170
• Molecular Formular: C21H26BrNO
• Molecular Mass: 388.34124
• Monoisotopic Mass: 387.11977646
• SMILES: N1(C2CC(CC1CC2)OC(c1ccccc1)c1ccccc1)C.Br
• Canonical SMILES: CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1.Br
• InChI: InChI=1S/C21H25NO.BrH/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;/h2-11,18-21H,12-15H2,1H3;1H
• InChIKey: DFENFKJORSPHQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide
• IUPAC Traditional name: benztropine hydrobromide; 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide
• Synonyms: 3-(benzhydryloxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide; Akitan; Cobrentin; Cogentin; Cogentine; Cogentinol; Benztropine hydrobromide

Database IDs

• CAS Number: 86-13-5
• PubChem SID: 162214523
• PubChem CID: 21516046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.79359984
• LogD (pH = 7.4): 2.0576518
• Log P: 4.1854005
• Molar Refractivity: 94.2404 cm^3
• Polarizability: 37.30829 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Anticholinergic agent

Product Information

• Salt Data: HBr
• Application(s): Also has antihistaminic props. and acts as appetite stimulant for livestock; Antiparkinsonian drug

REFERENCES

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• 3. van Harten PN, Hoek HW, Matroos GE, Koeter M, Kahn RS.Intermittent neuroleptic treatment and risk for tardive dyskinesia: Curacao Extrapyramidal Syndromes Study III.
• Am J Psychiatry. 1998 Apr;155(4):565-7.
• that differentially determine antagonist-binding properties. Journal of Neurochemistry 107 (4): 928?0.
• 4. Schmitt KC, Zhen J, Kharkar P, et al. (November 2008). Interaction of cocaine-, benztropine-, and GBR12909-like compounds with wild-type and mutant human dopamine transporters: molecular features