N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide | CAS No. 26095-59-0

N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide

Basic Information

CAS Number

26095-59-0

Molecular Formula

C29H43BrN2O4

Molecular Weight

563.6 g/mol

AD

Basic Physical Properties

Melting Point

130-133°C

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

LogP

3.39840

Complexity

600

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H312 Harmful in contact with skin
Acute toxicity, dermal
H332 Harmful if inhaled
Acute toxicity, inhalation

Toxicity

LD50 in mice (mg/kg) 87.0 i.p.

Synonyms & References

English

  • Otilonium bromide (INN)
  • Tox21_112059
  • J-016250
  • DTXCID8026357
  • BCP09737
  • OTILONIUM BROMIDE [WHO-DD]
  • Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-(octyloxy)benzamido)benzoate
  • OTILONIUM BROMIDE [MART.]
  • SP63
  • NS00050510
  • s3047
  • 26095-59-0
  • Ottilonio bromuro [Italian]
  • diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium;bromide
  • OTILONIUM BROMIDE [MI]
  • MLS006011208
  • CCG-270064
  • D07083
  • Otilonium bromide, >=98% (HPLC)
  • Octylonium bromide;SP63
  • Doralin
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, p-(o-(octyloxy)benzamido)benzoate
  • EINECS 247-457-4
  • Otilonium (bromide)
  • Otilonium Bromide
  • 21HN3N72PV
  • Bromure d'otilonium
  • OTILONIUM BROMIDE [INN]
  • N,N-diethyl-N-methyl-2-((4-(2-(octyloxy)benzamido)benzoyl)oxy)ethan-1-aminium bromide
  • CAS-26095-59-0
  • N,N-diethyl-N-methyl-2-(4-(2-(octyloxy)benzamido)benzoyloxy)ethanaminium bromide

MDL Number

MFCD00211142

Customs Code

2923900090

FAQ

What is N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0)?

N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0) is a quaternary ammonium compound with a complex structure. It is a bromide salt and possesses amphiphilic properties due to its hydrophobic octyloxy group and hydrophilic amine functionalities. This compound is often used in specialized chemical applications due to its unique molecular configuration.

What are the main uses of N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0)?

N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0) is primarily used in pharmaceutical research as a potential surfactant or emulsifying agent. It may also find applications in industrial formulations, particularly in areas requiring surface activity or solubilization properties. Its specific use depends on the required functionality in a given application.

Is N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0) safe?

N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0) is generally considered safe when handled properly. However, as with many chemical compounds, it should be used with appropriate protective measures, such as gloves and goggles. Safety data sheets (SDS) should be consulted for detailed toxicity and handling information.

How should N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0) be stored?

N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide (CAS: 26095-59-0) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container to prevent moisture absorption and maintain stability. Proper storage conditions are essential to preserve its chemical integrity and effectiveness.

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