HEXAFLUORENIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B64NJG83K2

Structure
InChI Key WDEFPRUEZRUYNW-UHFFFAOYSA-L
Smile C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[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

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H42Br2N2
Molecular Weight 662.55
AlogP 8.24
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 0.0
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acetylcholinesterase inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 1300-1300 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1200933
EPA CompTox DTXSID6048753
FDA SRS B64NJG83K2
PharmGKB PA164743020
PubChem 9434
SureChEMBL SCHEMBL120924
CONTENTS