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86-13-5 molecular structure
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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 and InChIs

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

Cite this record

CBID:120170 http://www.chembase.cn/molecule-120170.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide
IUPAC Traditional name
3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide
benztropine hydrobromide
Synonyms
3-(benzhydryloxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide
Akitan
Cobrentin
Cogentin
Cogentine
Cogentinol
Benztropine hydrobromide
CAS Number
86-13-5
PubChem SID
162214523
PubChem CID
21516046

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21516046 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.79359984  LogD (pH = 7.4) 2.0576518 
Log P 4.1854005  Molar Refractivity 94.2404 cm3
Polarizability 37.30829 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Mechanism of Action
Anticholinergic agent expand Show data source
Salt Data
HBr expand Show data source
Application(s)
Also has antihistaminic props. and acts as appetite stimulant for livestock expand Show data source
Antiparkinsonian drug expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 1. Arch Gen Psychiatry -- Abstract: Tardive dyskinesia: prevalence and risk factors, 1959 to 1979, April 1982, Kane and Smith 39 (4): 473
  • • 2. Wszola BA, Newell KM, Sprague RL (2001). Risk factors for tardive dyskinesia in a large population of youths and adults. Experimental and clinical psychopharmacology 9 (3): 285?6.
  • • 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
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PATENTS

PATENTS

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INTERNET

INTERNET

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