DECAMETHONIUM BROMIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 55C6RK944K
EPA CompTox DTXSID2022886

Structure

InChI Key HLXQFVXURMXRPU-UHFFFAOYSA-L
Smiles C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChI
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H38Br2N2
Molecular Weight 418.3
AlogP 3.52
Number of Rotational Bond 11.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Muscle-type nicotinic acetylcholine receptor partial agonist PARTIAL AGONIST PubMed PubMed ISBN PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Plasmodium falciparum
- 398.11 - - -
Plasmodium falciparum 3D7
- 911 - - -
Plasmodium falciparum D10
- 794.33 - - -

Cross References

Resources Reference
ChEBI 41934
ChEMBL CHEMBL1134
FDA SRS 55C6RK944K
KEGG C11733
PDB DME
PubChem 10921
SureChEMBL SCHEMBL487473
ZINC ZINC01532339
CONTENTS