etonitazene   Click here for help

GtoPdb Ligand ID: 1624

Compound class: Synthetic organic
Comment: Etonitazene is an example of the class of 2-benzylbenzimidazole ('nitazene') non-fentanyl novel synthetic opioids (NSOs) [1]. It acts as a full-efficacy μ opioid receptor (MOR) agonist in vitro, and this correlates with its potency to induce opioid effects in vivo.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 73.43
Molecular weight 396.22
XLogP 4.32
No. Lipinski's rules broken 0
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Canonical SMILES CCOc1ccc(cc1)Cc1nc2c(n1CCN(CC)CC)ccc(c2)[N+](=O)[O-]
Isomeric SMILES CCOc1ccc(cc1)Cc1nc2c(n1CCN(CC)CC)ccc(c2)[N+](=O)[O-]
InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1073 etonitazene
Database Links Click here for help
Specialist databases
GPCRdb Ligand etonitazene
Other databases
BindingDB Ligand 50013847
CAS Registry No. 911-65-9
ChEMBL Ligand CHEMBL312040
DrugBank Ligand DB01462
GtoPdb PubChem SID 135650245
PubChem CID 13493
Search Google for chemical match using the InChIKey PXDBZSCGSQSKST-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PXDBZSCGSQSKST
Search PubMed clinical trials etonitazene
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UniChem Compound Search for chemical match using the InChIKey PXDBZSCGSQSKST-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PXDBZSCGSQSKST-UHFFFAOYSA-N
Wikipedia Etonitazene