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]
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 17
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.