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Name Otilonium bromide
EINECS247-457-4
CAS No. 26095-59-0
DensityN/A
PSA64.63000
LogP3.39840
SolubilityN/A
Melting Point130-133 °C
FormulaC₂₉H₄₃BrN₂O₄
Boiling PointN/A
Molecular Weight563.575
Flash PointN/A
Transport InformationN/A
Appearancewhite power
Safety
Risk CodesN/A
Molecular Structure
Hazard SymbolsN/A
SynonymsN/A

Otilonium bromide Synthetic route

: 74-83-9
methyl bromide

: 26090-29-9
4-(2-Octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
In acetone at 60℃; for 48h; Reflux; Sealed tube; Inert atmosphere;	33%

: 119-36-8
methyl salicylate

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: potassium carbonate / acetonitrile / 85 °C / Sealed tube; Inert atmosphere 2: sodium hydroxide / methanol; tetrahydrofuran; water / 20 - 85 °C 3: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C / Inert atmosphere 4: triethylamine / dichloromethane / Inert atmosphere 5: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere View Scheme

Yield

Multi-step reaction with 5 steps
1: potassium carbonate / acetonitrile / 85 °C / Sealed tube; Inert atmosphere
2: sodium hydroxide / methanol; tetrahydrofuran; water / 20 - 85 °C
3: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C / Inert atmosphere
4: triethylamine / dichloromethane / Inert atmosphere
5: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere
View Scheme

: 111-83-1
1-bromo-octane

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: potassium carbonate / acetonitrile / 85 °C / Sealed tube; Inert atmosphere 2: sodium hydroxide / methanol; tetrahydrofuran; water / 20 - 85 °C 3: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C / Inert atmosphere 4: triethylamine / dichloromethane / Inert atmosphere 5: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere View Scheme

Yield

: 100-37-8
2-(Diethylamino)ethanol

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: dmap; triethylamine / dichloromethane / 0.5 h / Inert atmosphere 2: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr 3: triethylamine / dichloromethane / Inert atmosphere 4: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere View Scheme

: 122-04-3
4-nitro-benzoyl chloride

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: dmap; triethylamine / dichloromethane / 0.5 h / Inert atmosphere 2: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr 3: triethylamine / dichloromethane / Inert atmosphere 4: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere View Scheme

: 255062-85-2
2-octyloxybenzoic acid methyl ester

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium hydroxide / methanol; tetrahydrofuran; water / 20 - 85 °C 2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C / Inert atmosphere 3: triethylamine / dichloromethane / Inert atmosphere 4: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere View Scheme

: 27830-12-2
2-octyloxybenzoic acid

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C / Inert atmosphere 2: triethylamine / dichloromethane / Inert atmosphere 3: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere View Scheme

: 13456-39-8
2-(diethylamino)ethyl 4-nitrobenzoate

: 26095-59-0
otilonium bromide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr 2: triethylamine / dichloromethane / Inert atmosphere 3: acetone / 48 h / 60 °C / Reflux; Sealed tube; Inert atmosphere View Scheme

Otilonium bromide Chemical Properties

Molecule structure of Otilonium bromide (CAS NO.26095-59-0):

IUPAC Name: Diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
Molecular Weight: 563.56672 g/mol
Molecular Formula: C₂₉H₄₃BrN₂O₄
Melting Point: 130-133 °C
Appearance: white powder
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 17
Tautomer Count: 4
Exact Mass: 562.24062
MonoIsotopic Mass: 562.24062
Topological Polar Surface Area: 64.6
Heavy Atom Count: 36
Canonical SMILES: CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[Br-]
InChI: InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H
InChIKey: VWZPIJGXYWHBOW-UHFFFAOYSA-N
EINECS: 247-457-4
Product Categories: Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals

Otilonium bromide Uses

Otilonium bromide (CAS NO.26095-59-0) can be used as inhibits platlet activating factor induced hypotension and antispasmodic.

Otilonium bromide Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mammal (species unspecified)	LD50	intraperitoneal	85mg/kg (85mg/kg)	Farmaco, Edizione Scientifica. Vol. 39, Pg. 3, 1984.
mammal (species unspecified)	LD50	oral	650mg/kg (650mg/kg)	Farmaco, Edizione Scientifica. Vol. 39, Pg. 3, 1984.
mammal (species unspecified)	LD50	subcutaneous	1gm/kg (1000mg/kg)	Farmaco, Edizione Scientifica. Vol. 39, Pg. 3, 1984.
mouse	LD50	intravenous	46500ug/kg (46.5mg/kg)	Medicamentos de Actualidad. Vol. 15, Pg. 417, 1979.
mouse	LD50	oral	> 1500mg/kg (1500mg/kg)	Medicamentos de Actualidad. Vol. 15, Pg. 417, 1979.
rat	LD50	intravenous	14100ug/kg (14.1mg/kg)	Medicamentos de Actualidad. Vol. 15, Pg. 417, 1979.
rat	LD50	oral	> 1650mg/kg (1650mg/kg)	Medicamentos de Actualidad. Vol. 15, Pg. 417, 1979.

Otilonium bromide Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of Br⁻ and NO_x.

Otilonium bromide Specification

Otilonium bromide (CAS NO.26095-59-0) is also named as Bromure d'otilonium ; Bromure d'otilonium [INN-French] ; Bromuro de otilonio ; Bromuro de otilonio [INN-Spanish] ; Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-
(octyloxy)benzamido)-benzoate ; Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-(octyloxy)benzamido)benzoate ;
Ethanaminium, N,N-diethyl-N-methyl-2-((4-((2-(octyloxy)benzoyl)amino)benzoyl)oxy)-, bromide ; Octylonium bromide ; Otilonii bromidum ; Otilonii bromidum [INN-Latin] ; Ottilonio bromuro ; Ottilonio bromuro [Italian] ; SP63 ; Spasmomen ; UNII-21HN3N72PV . Otilonium bromide (CAS NO.26095-59-0) is an antimuscarinic.

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Product Name

Otilonium bromide

Otilonium bromide Synthetic route

Otilonium bromide Chemical Properties

Otilonium bromide Uses

Otilonium bromide Toxicity Data With Reference

Otilonium bromide Safety Profile

Otilonium bromide Specification

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