DECAMETHONIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 55C6RK944K

Structure
InChI Key HLXQFVXURMXRPU-UHFFFAOYSA-L
Smile 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
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 11.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Muscle-type nicotinic acetylcholine receptor partial agonist PubMed PubMed ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1000 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 5730 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 5730 -

Related Entries

MCS

Cross References

Resources Reference
ChEBI 41934
ChEMBL CHEMBL1134
EPA CompTox DTXSID2022886
FDA SRS 55C6RK944K
KEGG C11733
PDB DME
PubChem 10921
SureChEMBL SCHEMBL487473
ZINC ZINC01532339
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