CAS 14720-92-4 | Ethanaminium, 2-(3-carboxy-1-oxopropoxy)-N,N,N-trimethyl-, iodide (1:1) | CAS Number 14720-92-4

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14720-92-4 | Ethanaminium, 2-(3-carboxy-1-oxopropoxy)-N,N,N-trimethyl-, iodide (1:1)

CAS No: 14720-92-4 Catalog No: AG001EOQ MDL No:MFCD00449277

Product Description

Catalog Number:

AG001EOQ

Chemical Name:

Ethanaminium, 2-(3-carboxy-1-oxopropoxy)-N,N,N-trimethyl-, iodide (1:1)

CAS Number:

14720-92-4

Molecular Formula:

C9H18INO4

Molecular Weight:

331.1480

MDL Number:

MFCD00449277

IUPAC Name:

2-(3-carboxypropanoyloxy)ethyl-trimethylazanium;iodide

InChI:

InChI=1S/C9H17NO4.HI/c1-10(2,3)6-7-14-9(13)5-4-8(11)12;/h4-7H2,1-3H3;1H

InChI Key:

JHJSYFCOIPGPHA-UHFFFAOYSA-N

SMILES:

OC(=O)CCC(=O)OCC[N+](C)(C)C.[I-]

UNII:

5U09B5BGWB

Properties

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.15g/mol

Monoisotopic Mass:

331.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Degradation and elimination of succinylcholine and succinylmonocholine and definition of their respective detection windows in blood and urine for forensic purposes.	International journal of legal medicine 20120301
Pharmacokinetic properties of succinylmonocholine in surgical patients.	Journal of analytical toxicology 20110601
Applicability of succinylmonocholine as a marker for succinylcholine administration--comparative analysis of samples from a fatal succinylcholine-intoxication versus postmortem control specimens.	Forensic science international 20110415
A fully validated isotope dilution HPLC-MS/MS method for the simultaneous determination of succinylcholine and succinylmonocholine in serum and urine samples.	Journal of mass spectrometry : JMS 20081001
Succinylmonocholine analytics as an example for selectivity problems in high-performance liquid chromatography/tandem mass spectrometry, and resulting implications for analytical toxicology.	Rapid communications in mass spectrometry : RCM 20080601
Succinylmonocholine identified in negative control tissues.	Journal of analytical toxicology 20030101