ContaminantDB: Succinylcholine

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-25 18:18:58 UTC

Update Date

2016-11-09 01:17:25 UTC

Accession Number

CHEM022065

Identification

Common Name

Succinylcholine

Class

Small Molecule

Description

A quaternary skeletal muscle relaxant usually used in the form of its bromide, chloride, or iodide. It is a depolarizing relaxant, acting in about 30 seconds and with a duration of effect averaging three to five minutes. Succinylcholine is used in surgical, anesthetic, and other procedures in which a brief period of muscle relaxation is called for.

Contaminant Sources

HMDB Contaminants - Urine
STOFF IDENT Compounds

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2,2'-[(1,4-DIOXOBUTANE-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium)	ChEBI
Dicholine succinate	ChEBI
Succinic acid, diester with choline	ChEBI
Succinocholine	ChEBI
Succinoylcholine	ChEBI
Succinylbischoline	ChEBI
Succinyldicholine	ChEBI
Suxamethonium	ChEBI
Dicholine succinic acid	Generator
Succinate, diester with choline	Generator
Scoline	HMDB
Succinylcholine chloride	HMDB
Suxamethonium chloride	HMDB
Bromide, suxamethonium	HMDB
Succinylcholine dichloride	HMDB
Succinylcholine dichloride, di H2O	HMDB
Suxamethonium bromide	HMDB
Anectine	HMDB
Dibromide, succinylcholine	HMDB
Diiodide, succinylcholine	HMDB
Diperchlorate, succinylcholine	HMDB
Listenon	HMDB
Succicuran	HMDB
Succinylcholine dibromide	HMDB
Succinylcholine iodide	HMDB
Dichloride, succinylcholine	HMDB
Ditilin	HMDB
Celocurine	HMDB
Lysthenon	HMDB
Myorelaxin	HMDB
Quelicin	HMDB
Succinylcholine dichloride, di-H2O	HMDB
Succinylcholine diiodide	HMDB
Succinylcholine diperchlorate	HMDB
Succinate, dicholine	HMDB

Chemical Formula

C₁₄H₃₀N₂O₄

Average Molecular Mass

290.399 g/mol

Monoisotopic Mass

290.221 g/mol

CAS Registry Number

306-40-1

IUPAC Name

trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium

Traditional Name

succinylcholine

SMILES

C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C

InChI Identifier

InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2

InChI Key

AXOIZCJOOAYSMI-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Quaternary ammonium salts

Direct Parent

Acyl cholines

Alternative Parents

Substituents

Acyl choline
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Tetraalkylammonium salt
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Amine
Organooxygen compound
Organic salt
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organic cation
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

quaternary ammonium ion (CHEBI:45652 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.00076 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-8.4	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Basic)	-6.8	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	100.94 m³·mol⁻¹	ChemAxon
Polarizability	33.15 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum