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SML1454

Sigma-Aldrich

Otilonium bromide

≥98% (HPLC)

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Synonym(s):
N,N-Diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide, N,N-Diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]-ethanaminium bromide, Octylonium bromide
Empirical Formula (Hill Notation):
C29H43BrN2O4
CAS Number:
26095-59-0
Molecular Weight:
563.57
MDL number:
MFCD00211142
UNSPSC Code:
12352200
PubChem Substance ID:
329825892
NACRES:
NA.77

Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

H2O: 5 mg/mL, clear (warmed)

storage temp.

−20°C

SMILES string

O=C(NC1=CC=C(C(OCC[N+](CC)(CC)C)=O)C=C1)C2=CC=CC=C2OCCCCCCCC.[Br-]

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

InChI key

VWZPIJGXYWHBOW-UHFFFAOYSA-N

General description

Otilonium bromide is an antispasmodic. It contains a red color ACh (acetylcholine) like moiety bound to an aromatic system that ends with an octyl ether.

Biochem/physiol Actions

Otilonium Bromide is a muscarinic receptor antagonist (antimuscarinic). Otilonium Bromide is a quaternary ammonium salt that exerts spasmolytic action selective on the distal gastrointestinal tract. It is used world-wide for the treatment of irritable bowel syndrome (IBS).
Otilonium bromide has the capability to prevent L-type Ca2+ channels and colonic contractile activity. It is a tolerable drug as it is absorbed poorly and has very less side effects.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Issues in Gastroenterology and Hepatology (2012)
Pharma Chemica (2011)

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