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CHEBI:53763 - 3-methylthiofentanyl

ChEBI IDCHEBI:53763
ChEBI Name3-methylthiofentanyl
Stars
DefinitionA piperidine compound having a (2-thienyl)ethyl substituent at the 1-position, a methyl group at the 3-position and an N-phenylpropanamido group at the 4-position.
Last Modified6 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC21H28N2OS
Net Charge0
Average Mass356.535
Monoisotopic Mass356.19223
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1C
InChIInChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3
InChIKeySRARDYUHGVMEQI-UHFFFAOYSA-N
Roles Classification
Biological Role:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
3-methylthiofentanyl (CHEBI:53763) has role opioid analgesic (CHEBI:35482)
3-methylthiofentanyl (CHEBI:53763) is a anilide (CHEBI:13248)
3-methylthiofentanyl (CHEBI:53763) is a monocarboxylic acid amide (CHEBI:29347)
3-methylthiofentanyl (CHEBI:53763) is a piperidines (CHEBI:26151)
3-methylthiofentanyl (CHEBI:53763) is a thiophenes (CHEBI:26961)
Incoming Relation(s)
(3R)-methylthiofentanyl (CHEBI:53764) is a 3-methylthiofentanyl (CHEBI:53763)
(3S)-methylthiofentanyl (CHEBI:53765) is a 3-methylthiofentanyl (CHEBI:53763)
IUPAC Name 
N-{3-methyl-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide
Synonyms  Source
3-Methyl-thiofentanylDrugBank
N-(3-Methyl-1-(2-thienyl)ethyl-4-piperidinyl)-N-phenylpropanamideChemIDplus
Manual XrefsDatabases
DB01439DrugBank
Registry NumbersSources
CAS:86052-04-2DrugBank
CAS:86052-04-2ChemIDplus
Citations