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Details

Stereochemistry RACEMIC
Molecular Formula C3H3NO
Molecular Weight 69.062
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CYANOETHYLENE OXIDE

SMILES

N#CC1CO1

InChI

InChIKey=RSHIVZARDAPEDE-UHFFFAOYSA-N
InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2

HIDE SMILES / InChI

Molecular Formula C3H3NO
Molecular Weight 69.062
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Cytochrome P450 2E1 (CYP2E1) is essential for acrylonitrile metabolism to cyanide: comparative studies using CYP2E1-null and wild-type mice.
2002 Aug
Differential metabolism of acrylonitrile to cyanide is responsible for the greater sensitivity of male vs female mice: role of CYP2E1 and epoxide hydrolases.
2003 Dec 1
Physiologically based pharmacokinetic model parameter estimation and sensitivity and variability analyses for acrylonitrile disposition in humans.
2003 Jan
Cancer dose--response assessment for acrylonitrile based upon rodent brain tumor incidence: use of epidemiologic, mechanistic, and pharmacokinetic support for nonlinearity.
2005 Oct
Derivation of noncancer reference values for acrylonitrile.
2008 Oct
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:32:50 GMT 2023
Edited
by admin
on Sat Dec 16 09:32:50 GMT 2023
Record UNII
0C17IZ13QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CYANOETHYLENE OXIDE
Systematic Name English
GLYCIDIC ACID NITRILE
Common Name English
2-ACRYLONITRILE OXIDE
Common Name English
GLYCIDONITRILE
Systematic Name English
CYANOOXIRANE
Systematic Name English
CYANOETHYLENE OXIDE
Systematic Name English
OXIRANE CARBONITRILE
Systematic Name English
2,3-EPOXYPROPIONONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
20662
Created by admin on Sat Dec 16 09:32:50 GMT 2023 , Edited by admin on Sat Dec 16 09:32:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-887-0
Created by admin on Sat Dec 16 09:32:50 GMT 2023 , Edited by admin on Sat Dec 16 09:32:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID10963379
Created by admin on Sat Dec 16 09:32:50 GMT 2023 , Edited by admin on Sat Dec 16 09:32:50 GMT 2023
PRIMARY
FDA UNII
0C17IZ13QV
Created by admin on Sat Dec 16 09:32:50 GMT 2023 , Edited by admin on Sat Dec 16 09:32:50 GMT 2023
PRIMARY
CAS
4538-51-6
Created by admin on Sat Dec 16 09:32:50 GMT 2023 , Edited by admin on Sat Dec 16 09:32:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE