DME

DECAMETHONIUM ION

Created:	1999-07-08
Last modified:	2011-06-04

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7 entries where DME is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	56
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	0

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Chemical Component Summary
Name	DECAMETHONIUM ION
Systematic Name (OpenEye OEToolkits)	trimethyl-(10-trimethylazaniumyldecyl)azanium
Formula	C₁₆ H₃₈ N₂
Molecular Weight	258.486
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	C(CCCC[N+](C)(C)C)CCCCC[N+](C)(C)C
SMILES	CACTVS	3.341	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChI	InChI	1.03	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	InChI	1.03	MTCUAOILFDZKCO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01245
Name	Decamethonium
Groups	approved
Description	Decamethonium is used in anesthesia to cause paralysis. It is a short acting depolarizing muscle relaxant. It is similar to acetylcholine and acts as a partial agonist of the nicotinic acetylcholine receptor.
Synonyms	Decamethylenebis(trimethylammonium) Decamethonium bromide Decamethonium cation Decamethonum Decamethonium ion N,N,N,N',N',N'-hexamethyl-1,10-decanediaminium Decamethonium
Indication	For use as a skeletal muscle relaxant
Categories	Amines Bis-Trimethylammonium Compounds Central Nervous System Depressants Cholinesterase Inhibitors Neuromuscular Agents Neuromuscular Blocking Agents Neuromuscular Depolarizing Agents Neurotoxic agents Onium Compounds Peripheral Nervous System Agents Quaternary Ammonium Compounds
CAS number	156-74-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuronal acetylcholine receptor subunit alpha-2	MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALP...	unknown	partial agonist
Neuronal acetylcholine receptor subunit alpha-4	MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNK...	unknown
Neuronal acetylcholine receptor subunit beta-2	MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPAT...	unknown
Acetylcholinesterase	MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...	unknown	inhibitor
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682