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
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.