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CHEBI:234363 - protonitazene

ChEBI IDCHEBI:234363
ChEBI Nameprotonitazene
Stars
DefinitionA member of the class of benzimidazoles that is 1H-benzimidazole substituted by 2-(diethylamino)ethyl, 4-propoxybenzyl, and nitro groups at positions 1, 2, and 5, respectively. It is a synthetic opioid.
Last Modified22 May 2025
SubmitterAdnan
DownloadsMolfile
FormulaC23H30N4O3
Net Charge0
Average Mass410.518
Monoisotopic Mass410.23179
SMILESCCCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCN(CC)CC)cc1
InChIInChI=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
InChIKeySJHUJFHOXYDSJY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Applications:
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
protonitazene (CHEBI:234363) has role opioid analgesic (CHEBI:35482)
protonitazene (CHEBI:234363) has role μ-opioid receptor agonist (CHEBI:55322)
protonitazene (CHEBI:234363) is a C-nitro compound (CHEBI:35716)
protonitazene (CHEBI:234363) is a aromatic ether (CHEBI:35618)
protonitazene (CHEBI:234363) is a benzimidazoles (CHEBI:22715)
protonitazene (CHEBI:234363) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N,N-diethyl-2-[5-nitro-2-(4-propoxybenzyl)-1H-benzimidazol-1-yl]ethanamine
Synonyms  Source
N,N-diethyl-2-{5-nitro-2-[(4-propoxyphenyl)methyl]-1H-benzimidazol-1-yl}ethan-1-amineIUPAC
N,N-diethyl-5-nitro-2-[(4-propoxyphenyl)methyl]-1H-benzimidazole-1-ethanamineChEBI
N,N-diethyl-2-{2-[(4-propoxyphenyl)methyl]-5-nitro-1H-benzimidazol-1-yl}ethan-1-amineChEBI
Manual XrefsDatabases
C22683KEGG COMPOUND
ProtonitazeneWikipedia
Registry NumbersSources
CAS:95958-84-2KEGG COMPOUND
Citations