ContaminantDB: Succinylcholine chloride

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

Record Information

Version

1.0

Creation Date

2016-05-22 03:46:16 UTC

Update Date

2016-11-09 01:15:29 UTC

Accession Number

CHEM016879

Identification

Common Name

Succinylcholine chloride

Class

Small Molecule

Description

A chloride salt in which the negative charge of the chloride ions is balanced by succinylcholine dications.

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2-Hydroxyethyl)trimethylammonium chloride succinate	ChEBI
2-Dimethylaminoethyl succinate dimethochloride	ChEBI
Anhydrous succinylcholine chloride	ChEBI
Anhydrous succinylcholine dichloride	ChEBI
Anhydrous succinyldicholine dichloride	ChEBI
Anhydrous suxamethonium chloride	ChEBI
Bis(2-dimethylaminoethyl)succinate bis(methochloride)	ChEBI
Bis(succinyldichlorocholine)	ChEBI
Chlorsuccinylcholin	ChEBI
Chlorure de succinilcoline	ChEBI
Cloruro de suxametonio	ChEBI
Succinylcholine dichloride	ChEBI
Succinylcholine dichloride (anhydrous)	ChEBI
Succinyldicholine dichloride	ChEBI
Succinyldicholine dichloride (anhydrous)	ChEBI
Suxamethonii chloridum	ChEBI
Suxamethonium chloride	ChEBI
Suxamethonium chloride (anhydrous)	ChEBI
Suxamethonium dichloride	ChEBI
Anectine	Kegg
Quelicin	Kegg
(2-Hydroxyethyl)trimethylammonium chloride succinic acid	Generator
2-Dimethylaminoethyl succinic acid dimethochloride	Generator
Bis(2-dimethylaminoethyl)succinic acid bis(methochloride)	Generator
Dibromide, succinylcholine	MeSH
Listenon	MeSH
Celocurine	MeSH
Lysthenon	MeSH
Suxamethonium	MeSH
Succinylcholine diperchlorate	MeSH
Succinylcholine dichloride, di-H2O	MeSH
Dichloride, succinylcholine	MeSH
Myorelaxin	MeSH
Succinyldicholine	MeSH
Succinylcholine dichloride, di H2O	MeSH
Succicuran	MeSH
Succinate, dicholine	MeSH
Succinylcholine	MeSH
Succinylcholine dibromide	MeSH
Succinylcholine iodide	MeSH
Suxamethonium bromide	MeSH
Diperchlorate, succinylcholine	MeSH
Diiodide, succinylcholine	MeSH
Dicholine succinate	MeSH
Succinylcholine diiodide	MeSH
Bromide, suxamethonium	MeSH
Ditilin	MeSH

Chemical Formula

C₁₄H₃₀Cl₂N₂O₄

Average Molecular Mass

361.305 g/mol

Monoisotopic Mass

360.158 g/mol

CAS Registry Number

71-27-2

IUPAC Name

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

Traditional Name

succinylcholine dichloride

SMILES

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

InChI Identifier

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

InChI Key

YOEWQQVKRJEPAE-UHFFFAOYSA-L

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
Organic salt
Organooxygen compound
Organic chloride salt
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

chloride salt (CHEBI:61219 )

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	0.0012 g/L	ALOGPS
logP	-3.6	ALOGPS
logP	-8.4	ChemAxon
logS	-5.5	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	33.46 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

Not Available

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT000206

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Succinylcholine

Chemspider ID

Not Available

ChEBI ID

61219

PubChem Compound ID

22475

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Succinylcholine chloride (CHEM016879)

Structure for CHEM016879: Succinylcholine chloride