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Oxyphenonium bromide structure, CAS 50-10-2

Oxyphenonium bromide

CAS Number50-10-2

Synonymsdiethyl-{2-[(cyclohexyl-hydroxy-phenyl)-acetoxy]-ethyl}-methyl-ammonium,bromide; Oxyphenon; EINECS 200-010-7; oxyphenonium; Antrenyl bromide; 2-(2-cyclohexyl-2-hydroxy-2-phenylacetoxy)-N,N-diethyl-N-methylethanaminium bromide; Subranyl; 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium,bromide; Oxifenon; 2-[(cyclohexylhydroxyphenylacetyl)oxy]-N,N-diethyl-N-methyl-ethanaminium; Spasmophen; MFCD00050259

Molecular FormulaC21H34BrNO3

Molecular Weight428.40

Purity98.00%

Density1.2584 (rough estimate)

Boiling Point

Melting Point189-194° from ethyl acetate + alc

Flash Point

Appearance

EINECS

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Cat. No.: 2A-1169375 Purity: 98.00%
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Quality Control of [ 50-10-2 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number50-10-2
Catalog No.2A-1169375
Chinese Name奥芬溴铵
Synonymsdiethyl-{2-[(cyclohexyl-hydroxy-phenyl)-acetoxy]-ethyl}-methyl-ammonium,bromide; Oxyphenon; EINECS 200-010-7; oxyphenonium; Antrenyl bromide; 2-(2-cyclohexyl-2-hydroxy-2-phenylacetoxy)-N,N-diethyl-N-methylethanaminium bromide; Subranyl; 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium,bromide; Oxifenon; 2-[(cyclohexylhydroxyphenylacetyl)oxy]-N,N-diethyl-N-methyl-ethanaminium; Spasmophen; MFCD00050259
Molecular FormulaC21H34BrNO3
Molecular Weight428.40
Purity98.00
Density1.2584 (rough estimate)
Melting Point189-194° from ethyl acetate + alc
Storage Condition-20°C, sealed, dry
ApplicationOxybenium bromide is an antiacetylcholine compound. Oxybenium bromide is an antagonist of mAChR. Oxybenium bromide can prevent bronchial obstruction [1][2][3].
PubChem ID855750
SMILESCC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]
InChIInChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1
InChI KeyUKLQXHUGTKWPSR-UHFFFAOYSA-M
Hazard Symbolstransportation
MSDSmsds/169477_2_50_10_2.pdf
BioactivityOxyphenonium bromide is an antiacetylcholine compound. Oxyphenonium bromide is an antagonist of mAChR. Oxyphenonium bromide protects against the bronchial obstructive effects[1][2][3]. Related Catalog Signaling Pathways >> Neuronal Signaling >> mAChR Signaling Pathways >> GPCR/G Protein >> mAChR Research Areas >> Inflammation/Immunology References [1]. Funasaki N, et al. Quantitative estimation of the bitter taste intensity of oxyphenonium bromide reduced by cyclodextrins from electromotive force measurements. Anal Chem. 1999 May 1;71(9):1733-6. [2]. Koëter GH, et al. Protective effect of oral oxyphenonium bromide, terbutaline and theophylline against the bronchial obstructive effects of inhaled histamine, acetylcholine and propranolol. Eur J Clin Pharmacol. 1984;26(4):435-41. [3]. Eglen RM, et al. Competitive and non-competitive antagonism exhibited by 'selective' antagonists at atrial and ileal muscarinic receptor subtypes. Br J Pharmacol. 1987 Apr;90(4):701-7. Chemical & Physical Properties Density 1.2584 (rough estimate) Melting Point 189-194° from ethyl acetate + alc Molecular Formula C21H34BrNO3 Molecular Weight 428.40 Exact Mass 427.17200 PSA 46.53000 LogP 0.48810 Index of Refraction 1.6200 (estimate) InChIKey UKLQXHUGTKWPSR-UHFFFAOYSA-M SMILES CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]
Use ofOxyphenonium bromide is an antiacetylcholine compound. Oxyphenonium bromide is an antagonist of mAChR. Oxyphenonium bromide protects against the bronchial obstructive effects[1][2][3]. Properties Articles25 Name Oxyphenonium bromide Synonym More Synonyms Oxyphenonium (bromide) Biological Activity Description Oxyphenonium bromide is an antiacetylcholine compound. Oxyphenonium bromide is an antagonist of mAChR. Oxyphenonium bromide protects against the bronchial obstructive effects[1][2][3]. Related Catalog Signaling Pathways >> Neuronal Signaling >> mAChR Signaling Pathways >> GPCR/G Protein >> mAChR Research Areas >> Inflammation/Immunology References [1]. Funasaki N, et al. Quantitative estimation of the bitter taste intensity of oxyphenonium bromide reduced by cyclodextrins from electromotive force measurements. Anal Chem. 1999 May 1;71(9):1733-6. [2]. Koëter GH, et al. Protective effect of oral oxyphenonium bromide, terbutaline and theophylline against the bronchial obstructive effects of inhaled histamine, acetylcholine and propranolol. Eur J Clin Pharmacol. 1984;26(4):435-41. [3]. Eglen RM, et al. Competitive and non-competitive antagonism exhibited by 'selective' antagonists at atrial and ileal muscarinic receptor subtypes. Br J Pharmacol. 1987 Apr;90(4):701-7. Chemical & Physical Properties Molecular Formula C21H34BrNO3 Exact Mass 427.17200 PSA 46.53000 LogP 0.48810 Index of Refraction 1.6200 (estimate) InChIKey UKLQXHUGTKWPSR-UHFFFAOYSA-M
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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