Details
Stereochemistry | ACHIRAL |
Molecular Formula | C6H11NO |
Molecular Weight | 113.1576 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN1CCCC1=O
InChI
InChIKey=ZFPGARUNNKGOBB-UHFFFAOYSA-N
InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
Molecular Formula | C6H11NO |
Molecular Weight | 113.1576 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/17370236Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/24232175
http://www.ncbi.nlm.nih.gov/pubmed/3391472
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17370236
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/24232175
http://www.ncbi.nlm.nih.gov/pubmed/3391472
N-ethyl-2-pyrrolidone (NEP) is a colourless and highly polar liquid. It can be used as a highly effective selected solvent, catalyst and cationic surfactant in industry (e.g. coatings). NEP has been shown to display a spectrum of developmental toxic and teratogenic effects in rodents after oral administration. The oral LD50 of NEP in rats was reported to
be 1.36 g/kg. The two postulated NEP metabolites 5-hydroxy-N-ethyl-2-pyrrolidone (5-HNEP) and 2-hydroxy-N ethylsuccinimide (2-HESI) have recently been detected in urine samples from the general population.
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
The acute oral toxicity and primary ocular and dermal irritation of selected N-alkyl-2-pyrrolidones. | 1988 May |
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Molecular dynamics and interactions of aqueous and dichloromethane solutions of polyvinylpyrrolidone. | 2006 Jul 21 |
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Stereoselective behavior of a novel biodegradable racemic ketoprofen injectable implant in rats. | 2007 Nov |
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Developmental toxic effects of N-ethyl-2-pyrrolidone administered orally to rats. | 2007 Sep-Oct |
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Chemistry of secondary polyphenols produced during processing of tea and selected foods. | 2009 Dec 28 |
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Estimation of drug-polymer miscibility and solubility in amorphous solid dispersions using experimentally determined interaction parameters. | 2009 Jan |
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Metabolism and elimination of N-ethyl-2-pyrrolidone (NEP) in human males after oral dosage. | 2014 Apr |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24232175
Curator's Comment: Reseachers orally dosed 20.9 mg NEP to three male volunteers. These volunteers collected all their urine samples over a period of 4 days post dose. In these samples the authors identified and quantified the above postulated NEP metabolites 5-HNEP and 2-HESI and determined their urinary elimination kinetics and their metabolic conversion factors.
20.9 mg NEP equalling an intake between 220 and 252 μg/kg b.w.
Route of Administration:
Oral
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:01:36 GMT 2023
by
admin
on
Sat Dec 16 02:01:36 GMT 2023
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Record UNII |
H0229SX1CW
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Record Status |
Validated (UNII)
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Record Version |
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2687-91-4
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