U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C20H24N4O3
Molecular Weight 368.4296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESETHYLETONITAZENE

SMILES

CCNCCN1C(CC2=CC=C(OCC)C=C2)=NC3=C1C=CC(=C3)[N+]([O-])=O

InChI

InChIKey=RESPFUMJVJRUMB-UHFFFAOYSA-N
InChI=1S/C20H24N4O3/c1-3-21-11-12-23-19-10-7-16(24(25)26)14-18(19)22-20(23)13-15-5-8-17(9-6-15)27-4-2/h5-10,14,21H,3-4,11-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H24N4O3
Molecular Weight 368.4296
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 10:33:55 GMT 2025
Edited
by admin
on Wed Apr 02 10:33:55 GMT 2025
Record UNII
QRN9B8Z285
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-BENZIMIDAZOLE-1-ETHANAMINE, 2-((4-ETHOXYPHENYL)METHYL)-N-ETHYL-5-NITRO-
Preferred Name English
N-DESETHYLETONITAZENE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID201342217
Created by admin on Wed Apr 02 10:33:55 GMT 2025 , Edited by admin on Wed Apr 02 10:33:55 GMT 2025
PRIMARY
PUBCHEM
162623580
Created by admin on Wed Apr 02 10:33:55 GMT 2025 , Edited by admin on Wed Apr 02 10:33:55 GMT 2025
PRIMARY
SMS_ID
300000054099
Created by admin on Wed Apr 02 10:33:55 GMT 2025 , Edited by admin on Wed Apr 02 10:33:55 GMT 2025
PRIMARY
FDA UNII
QRN9B8Z285
Created by admin on Wed Apr 02 10:33:55 GMT 2025 , Edited by admin on Wed Apr 02 10:33:55 GMT 2025
PRIMARY
CAS
2732926-26-8
Created by admin on Wed Apr 02 10:33:55 GMT 2025 , Edited by admin on Wed Apr 02 10:33:55 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
EC50
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY