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Screening compounds

Otilonium bromide

Also known as Octylonium bromide, Doralin, Bromure d'otilonium

CAS 26095-59-0Formula C29H43BrN2O4Molar mass 563.58 g/molEC 247-457-4
GHS signal word: Warning. Pictograms: Harmful or irritant 20 suppliers listed
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Otilonium bromide chemical structure, C29H43BrN2O4, CAS 26095-59-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
26095-59-0
Formula
C29H43BrN2O4
Molar mass
563.58 g/mol
EC number
247-457-4
HS code
292429
Category
Screening compounds

What is Otilonium bromide?

Plain description, key identifiers and synonyms

Otilonium bromide is a chemical substance with the molecular formula C29H43BrN2O4 and a molar mass of 563.58 g/mol. Its CAS registry number is 26095-59-0. The IUPAC name is diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
CAS number
26095-59-0 CAS number cross-checked
EC number
247-457-4
Molecular formula
C29H43BrN2O4
UNII
21HN3N72PV
MDL number
MFCD00211142
InChIKey
VWZPIJGXYWHBOW-UHFFFAOYSA-N
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
SMILES (canonical and isomeric)
CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[Br-]

Synonyms

  • Octylonium bromide
  • Doralin
  • Bromure d'otilonium
  • Bromuro de otilonio
  • Otilonii bromidum
  • Spasmoctyl 40
  • N-diethylmethylammoniummethyl-p-(2-(N-octyloxy)benzoyl)aminobenzoate bromide
  • otilonio bromuro
  • Otilonium (bromide)
  • N,N-diethyl-N-methyl-2-((4-(2-(octyloxy)benzamido)benzoyl)oxy)ethanaminium bromide
  • Spasmomen
  • diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium, bromide
  • Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-, bromide (1:1)
  • Otilonium bromide (INN)
  • Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-(octyloxy)benzamido)-benzoate
  • N,N-diethyl-N-methyl-2-((4-(2-(octyloxy)benzamido)benzoyl)oxy)ethan-1-aminium bromide
  • Ottilonio bromuro
  • OtiloniumBromide
  • Octyloniumbromide
  • N,N-Diethyl-N-methyl-2-({4-[2-(octyloxy)benzamido]benzoyl}oxy)ethan-1-aminium bromide
  • N,N-Diethyl-N-methyl-2-[[4-[2-(octyloxy)benzamido]benzoyl]oxy]ethanaminium Bromide
  • Otilonium bromi
  • Octylonium bromide, SP63
  • 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
Show all 28 synonyms
  • Otilonium (bromide) (Standard)
  • Otilonium bromide, >=98% (HPLC)
  • diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
563.58 g/molcalc.
Exact mass
562.2406 Dacalc.
LogP (octanol/water)
3.33calc.
Topological polar surface area
64.63 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
16calc.
Heavy atoms
36calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1ccccc1)c1ccccc1

O=C(Nc1ccccc1)c1ccccc1

2 rings, 15 atoms, the Benzanilide ring system.

13,118 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Otilonium bromide suppliers

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Where suppliers are based

20 suppliers in 7 countries

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Otilonium bromide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Otilonium bromide is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Otilonium bromide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Otilonium bromide, based on the data on this page

What is Otilonium bromide?

Otilonium bromide is a chemical substance with the molecular formula C29H43BrN2O4 and a molar mass of 563.58 g/mol. Its CAS registry number is 26095-59-0. The IUPAC name is diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide.

What is the CAS number of Otilonium bromide?

The CAS registry number of Otilonium bromide is 26095-59-0.

What is the molecular formula and weight of Otilonium bromide?

The molecular formula of Otilonium bromide is C29H43BrN2O4 and its molar mass is 563.58 g/mol.

What is Otilonium bromide used for?

Known uses and roles of Otilonium bromide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Otilonium bromide hazardous?

Otilonium bromide carries the GHS signal word "Warning". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Otilonium bromide?

Otilonium bromide is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Otilonium bromide?

CompoundList lists 20 suppliers of Otilonium bromide in China, United States, Spain, India and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Otilonium bromide in India?

2 suppliers in India list Otilonium bromide on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Otilonium bromide?

Suppliers quote Otilonium bromide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Otilonium bromide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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