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4630-95-9 molecular structure
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3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide

ChemBase ID: 129104
Molecular Formular: C22H28BrN
Molecular Mass: 386.36842
Monoisotopic Mass: 385.1405119
SMILES and InChIs

SMILES:
CC[N+]1(CC)CC/C(=C(/c2ccccc2)\c2ccccc2)/C1C.[Br-]
Canonical SMILES:
CC[N+]1(CC)CC/C(=C(/c2ccccc2)\c2ccccc2)/C1C.[Br-]
InChI:
InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
InChIKey:
UCGJZJXOPSNTGZ-UHFFFAOYSA-M

Cite this record

CBID:129104 http://www.chembase.cn/molecule-129104.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
IUPAC Traditional name
3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
Synonyms
Prifinium bromide
3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium Bromide
3-(Diphenylmethylene)-1-ethyl-2-methylpyrrolidine Ethyl Bromide
Padrin
Pyrodifenium Bromide
Riabal
CAS Number
4630-95-9
PubChem SID
162223403
PubChem CID
20749
ATC CODE
A03AB18
CHEMBL
1213353
Chemspider ID
19537
Unique Ingredient Identifier
3B7O9ZC520
Wikipedia Title
Prifinium_bromide

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
TRC
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6954395  LogD (pH = 7.4) 0.6954395 
Log P 0.6954395  Molar Refractivity 120.852 cm3
Polarizability 39.031498 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - P717500 external link
Prifinium Bromide is a synthetic antispasmodic drug; parasympatholytic. Prifinium Bromide is used as a quartenary anticholinergic agent.

REFERENCES

REFERENCES

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  • • Kumada, S. et al.: Arzneim.-Forsch., 20, 237 (1970)
  • • Nakai, T. et al.: Arzneim.-Forsch., 20, 1112 (1970)
  • • Bettini, V. et al.: Farm. Ed. Prat., 33, 392 (1970)
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PATENTS

PATENTS

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INTERNET

INTERNET

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