Hexafluronium bromideProduct ingredient for Hexafluronium
- Name
- Hexafluronium bromide
- Drug Entry
- Hexafluronium
Hexafluronium bromide is a neuromuscular blocking agent used in anesthesiology to prolong and potentiate the skeletal muscle relaxing action of suxamethonium during surgery. It is known to bind and block the activity of plasma cholinesterases.
- Accession Number
- DBSALT000566
- Structure
Structure for Hexafluronium bromide (DBSALT000566)
- Synonyms
- Hexafluorenium bromide
- External IDs
- NSC-19477
- UNII
- B64NJG83K2
- CAS Number
- 317-52-2
- Weight
- Average: 662.54
Monoisotopic: 660.171474648 - Chemical Formula
- C36H42Br2N2
- InChI Key
- WDEFPRUEZRUYNW-UHFFFAOYSA-L
- 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
- IUPAC Name
- N-{6-[(9H-fluoren-9-yl)dimethylazaniumyl]hexyl}-N,N-dimethyl-9H-fluoren-9-aminium dibromide
- SMILES
- [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C2=CC=CC=C12)C1C2=CC=CC=C2C2=CC=CC=C12
- External Links
- PubChem Compound
- 9434
- ChemSpider
- 9063
- BindingDB
- 50016845
- ChEBI
- 774884
- ChEMBL
- CHEMBL1200933
- PharmGKB
- PA164743020
- Wikipedia
- Hexafluronium_bromide
- Predicted Properties
Property Value Source Water Solubility 1.51e-06 mg/mL ALOGPS logP 1.17 ALOGPS logP -0.28 Chemaxon logS -8.6 ALOGPS pKa (Strongest Acidic) 16.24 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 184.49 m3·mol-1 Chemaxon Polarizability 62.01 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon