Details of the Drug

General Information of Drug (ID: DM05968)

Drug Name

Otilonium bromide

Synonyms

Otilonium Bromide; 26095-59-0; Octylonium bromide; Spasmomen; Octylonium; Otilonium (bromide); SP63; Ottilonio bromuro [Italian]; UNII-21HN3N72PV; Otilonium bromide [INN:BAN]; Otilonii bromidum [INN-Latin]; Bromure d'otilonium [INN-French]; Bromuro de otilonio [INN-Spanish]; EINECS 247-457-4; 21HN3N72PV; 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; DSSTox_CID_26357; DSSTox_RID_81559

Indication

Disease Entry	ICD 11	Status	REF
Gastric motility disorder	DA21	Approved	[1]
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ATC Code

A03AB06: Otilonium bromide

A03AB: Synthetic anticholinergics, quaternary ammonium compounds

A03A: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

A03: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

A: ALIMENTARY TRACT AND METABOLISM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

563.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C29H43BrN2O4
IUPAC Name: diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium;bromide
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

Cross-matching ID

PubChem CID: 72092
CAS Number: 26095-59-0
TTD ID: D0K8CI

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated L-type calcium channel (L-CaC)	TTXHYV6	NOUNIPROTAC	Blocker	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.