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

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 ETONITAZENE N,N-DIMETHYL ANALOGUE

SMILES

CCOC1=CC=C(CC2=NC3=CC(=CC=C3N2CCN(C)C)[N+]([O-])=O)C=C1

InChI

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

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 Sat Dec 16 18:17:09 UTC 2023
Edited
by admin
on Sat Dec 16 18:17:09 UTC 2023
Record UNII
K9WBE24PY7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETONITAZENE N,N-DIMETHYL ANALOGUE
Common Name English
2-((4-ETHOXYPHENYL)METHYL)-N,N-DIMETHYL-5-NITRO-1H-BENZIMIDAZOLE-1-ETHANAMINE
Systematic Name English
(2-(2-(4-ETHOXYBENZYL)-5-NITROBENZIMIDAZOL-1-YL)ETHYL)DIMETHYLAMINE
Systematic Name English
1H-BENZIMIDAZOLE-1-ETHANAMINE, 2-((4-ETHOXYPHENYL)METHYL)-N,N-DIMETHYL-5-NITRO-
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA List_of_benzimidazole_opioids
Created by admin on Sat Dec 16 18:17:09 UTC 2023 , Edited by admin on Sat Dec 16 18:17:09 UTC 2023
Code System Code Type Description
FDA UNII
K9WBE24PY7
Created by admin on Sat Dec 16 18:17:09 UTC 2023 , Edited by admin on Sat Dec 16 18:17:09 UTC 2023
PRIMARY
CAS
714190-52-0
Created by admin on Sat Dec 16 18:17:09 UTC 2023 , Edited by admin on Sat Dec 16 18:17:09 UTC 2023
PRIMARY
PUBCHEM
67089584
Created by admin on Sat Dec 16 18:17:09 UTC 2023 , Edited by admin on Sat Dec 16 18:17:09 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
POTENCY
Related Record Type Details
ACTIVE MOIETY