Products Categories
| CAS No.: | 26095-59-0 |
|---|---|
| Name: | Otilonium bromide |
| Molecular Structure: | |
|
|
|
| Formula: | C29H43BrN2O4 |
| Molecular Weight: | 563.575 |
| Synonyms: | Ethanaminium,N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-, bromide(1:1);Ammonium,diethyl(2-hydroxyethyl)methyl-, bromide, p-[o-(octyloxy)benzamido]benzoate(8CI);Benzoic acid, p-[o-(octyloxy)benzamido]-, ester withdiethyl(2-hydroxyethyl)methylammonium bromide (8CI);Otiloniumbromide;SP 63;Spasmomen; |
| EINECS: | 247-457-4 |
| Melting Point: | 130-133 °C |
| Appearance: | white power |
| PSA: | 64.63000 |
| LogP: | 3.39840 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 74-83-9
methyl bromide
- 26090-29-9
4-(2-Octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester
- 26095-59-0
otilonium bromide
| 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 | 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 | 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 |
- 100-37-8
2-(Diethylamino)ethanol
- 26095-59-0
otilonium bromide
| 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 | 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 | 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 | 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 | 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 |
- 630-56-8Hydroxyprogesterone caproate
- 100-79-8Solketal
- 1493-27-21-Fluoro-2-nitrobenzene
- 2235-54-3Ammonium lauryl sulfate
- 107-14-2Chloroacetonitrile
- 2009-83-86-Chlorohexanol
- 818-61-12-Hydroxyethyl acrylate
- 35554-44-0Imazalil
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Chemistry
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
Uses
Otilonium bromide (CAS NO.26095-59-0) can be used as inhibits platlet activating factor induced hypotension and antispasmodic.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | 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. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of Br− and NOx.
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.