U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H8IN3O2
Molecular Weight 281.0511
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-IODOETHYL)-2-METHYL-5-NITROIMIDAZOLE

SMILES

CC1=NC=C(N1CCI)[N+]([O-])=O

InChI

InChIKey=ROXLQGHOPINWFU-UHFFFAOYSA-N
InChI=1S/C6H8IN3O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H8IN3O2
Molecular Weight 281.0511
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:32:41 GMT 2025
Edited
by admin
on Wed Apr 02 00:32:41 GMT 2025
Record UNII
4KF74X42GX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-IMIDAZOLE, 1-(2-IODOETHYL)-2-METHYL-5-NITRO-
Preferred Name English
1-(2-IODOETHYL)-2-METHYL-5-NITROIMIDAZOLE
Systematic Name English
Code System Code Type Description
CAS
16156-90-4
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY
PUBCHEM
85309
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID70167194
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY
FDA UNII
4KF74X42GX
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED