Details of the Drug

General Information of Drug (ID: DMSBRUW)

Drug Name

Decamethonium

Synonyms

Decamethonum; Syncurine; DECAMETHONIUM ION; AIDS351484; AIDS-351484; Decamethylenebis(trimethylammonium)bromide; Syncurine (TN); Syncurine (*dibromide salt*); Trimethyl-[10-(trimethylazaniumyl)decyl]azanium; C 10 (VAN) (*dibromide salt*); N,N,N,N',N',N'-hexamethyldecane-1,10-diaminium; (DM)Br2; 1,10-Decanediaminium, N,N,N,N',N',N'-hexamethyl-(9CI); 1,10-Decanediaminium, N,N,N,N',N',N'-hexamethyl-, dibromide

Indication

Disease Entry	ICD 11	Status	REF
Muscle spasm	MB47.3	Approved	[1]
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Therapeutic Class

Neuromuscular Depolarizing Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

258.49

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is rapidly absorbed []

Chemical Identifiers

Formula: C16H38N2+2
IUPAC Name: trimethyl-[10-(trimethylazaniumyl)decyl]azanium
Canonical SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChI: InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChIKey: MTCUAOILFDZKCO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2968
ChEBI ID: CHEBI:41934
CAS Number: 156-74-1
DrugBank ID: DB01245
TTD ID: D05QNO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-1 (CHRNA1)	TT54JVQ	ACHA_HUMAN	Modulator	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cholinesterase (BCHE)	OTOH3WQ9	CHLE_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 006931.
2	Potency of nondepolarizing muscle relaxants on muscle-type acetylcholine receptors in denervated mouse skeletal muscle.Acta Pharmacol Sin.2010 Dec;31(12):1541-6.
3	The mechanism and benefit of human butyrylcholinesterase activation by what would otherwise be inhibitors. Chem Biol Interact. 2019 Aug 1;308:350-356.