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Details

Stereochemistry ACHIRAL
Molecular Formula C23H30N4O3
Molecular Weight 410.5093
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Protonitazene

SMILES

CCCOC1=CC=C(CC2=NC3=C(C=CC(=C3)[N+]([O-])=O)N2CCN(CC)CC)C=C1

InChI

InChIKey=SJHUJFHOXYDSJY-UHFFFAOYSA-N
InChI=1S/C23H30N4O3/c1-4-15-30-20-10-7-18(8-11-20)16-23-24-21-17-19(27(28)29)9-12-22(21)26(23)14-13-25(5-2)6-3/h7-12,17H,4-6,13-16H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C23H30N4O3
Molecular Weight 410.5093
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 15:20:49 GMT 2025
Edited
by admin
on Wed Apr 02 15:20:49 GMT 2025
Record UNII
4A6RZQ7M2V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Protonitazene
Common Name English
DEA NO. 9759
Preferred Name English
N,N-diethyl-2-(5-nitro-2-(4-propoxybenzyl)-1H-benzimidazol-1-yl)ethan-1-amine
Systematic Name English
N,N-Diethyl-5-nitro-2-[(4-propoxyphenyl)methyl]-1H-benzimidazole-1-ethanamine
Systematic Name English
1H-Benzimidazole-1-ethanamine, N,N-diethyl-5-nitro-2-[(4-propoxyphenyl)methyl]-
Systematic Name English
Benzimidazole, 1-[2-(diethylamino)ethyl]-5-nitro-2-(p-propoxybenzyl)-
Systematic Name English
Classification Tree Code System Code
DEA NO. 9759
Created by admin on Wed Apr 02 15:20:49 GMT 2025 , Edited by admin on Wed Apr 02 15:20:49 GMT 2025
Code System Code Type Description
CAS
95958-84-2
Created by admin on Wed Apr 02 15:20:49 GMT 2025 , Edited by admin on Wed Apr 02 15:20:49 GMT 2025
PRIMARY
PUBCHEM
156589001
Created by admin on Wed Apr 02 15:20:49 GMT 2025 , Edited by admin on Wed Apr 02 15:20:49 GMT 2025
PRIMARY
SMS_ID
300000048633
Created by admin on Wed Apr 02 15:20:49 GMT 2025 , Edited by admin on Wed Apr 02 15:20:49 GMT 2025
PRIMARY
FDA UNII
4A6RZQ7M2V
Created by admin on Wed Apr 02 15:20:49 GMT 2025 , Edited by admin on Wed Apr 02 15:20:49 GMT 2025
PRIMARY
Related Record Type Details
Structure of Protonitazene
PARENT -> SALT/SOLVATE
MU-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
.beta. Arrestin assay. Emax=107 (102-111) relative to Fentanyl. EC50 for Fentanyl=14.4
EC50
MU-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
Mini Gi assay. Emax=129 (123-136) relative to Fentanyl. EC50 for Fentanyl=34.6
EC50
Related Record Type Details
Structure of Protonitazene
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