Details of the Drug

General Information of Drug (ID: DMFY307)

• Drug Name: Hexafluronium bromide
• Synonyms: Hexafluorenium; Milaxen; Mylaxen; Bromuro de hexafluronio; Esafluronio bromuro; Esafluronio bromuro [DCIT]; Hexafluorenium bromide; Hexafluorenium bromide [USAN]; Hexafluorenium dibromide; Hexafluorenium dibromide salt; Hexafluronii bromidum; Bromure d'hexafluronium; Bromuro de hexafluronio [INN-Spanish]; Hexafluorenium bromide (USAN); Hexafluronii bromidum [INN-Latin]; Hexafluronium bromide (INN); IN-117; Mylaxen (TN); Bromure d'hexafluronium [INN-French]; Hexamethylene bis(9-fluorenyldimethylammonium)dibromide; Hexamethylenebis(9-fluorenyldimethylammonium bromide); Hexamethylenebis(dimethyl-9-fluorenylammonium bromide); Hexamethylenebis(fluoren-9-yldimethylammonium) dibromide; AMMONIUM, HEXAMETHYLENEBIS(FLUOREN-9-YLDIMETHYL-, DIBROMIDE; Ammonium, hexamethylenebis(fluoren-9-yldimethyl-, bromide; N,N'-Di(9-fluorenyl)-N,N,N',N'-tetramethyly-hexamethylendi(ammoniumbromid); 1,6-Bis(9 fluorenyldimethyl-ammonium)hexane bromide; 1,6-Hexanediaminium, N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl-, dibromide; 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide

Indication

Disease Entry	ICD 11	Status	REF
Spasm	MB47.3	Approved	[1]

• Therapeutic Class: Analgesics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 662.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 9
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C36H42Br2N2
  IUPAC Name: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium;dibromide
  Canonical SMILES: C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46.[Br-].[Br-]
  InChI: InChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2
  InChIKey: WDEFPRUEZRUYNW-UHFFFAOYSA-L
• Cross-matching ID:
  PubChem CID: 9434
  CAS Number: 317-52-2
  TTD ID: D0Q2MH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[2]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Synergistic effect of acidosis and succinylcholine-induced hyperkalemia in spinal cord transected rats. Acta Anaesthesiol Scand. 1984 Feb;28(1):87-90.