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]

• Drug Type: Small molecular drug
• #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

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]

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.