3-methylthiofentanyl (CHEBI:53763)

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ChEBI Name	3-methylthiofentanyl

ChEBI ID	CHEBI:53763

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C21H28N2OS

Net Charge

Average Mass

356.52500

Monoisotopic Mass

356.19223

InChI

InChI=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

InChIKey

SRARDYUHGVMEQI-UHFFFAOYSA-N

SMILES

CCC(=O)N(C1CCN(CCc2cccs2)CC1C)c1ccccc1

Roles Classification
Biological Role(s):	opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.

Application(s):	opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.

ChEBI Ontology
Outgoing	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	(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	Sources
3-Methyl-thiofentanyl	DrugBank
N-(3-Methyl-1-(2-thienyl)ethyl-4-piperidinyl)-N-phenylpropanamide	ChemIDplus

Citation	Type	Source
16621415	PubMed citation	Europe PMC

Last Modified

06 March 2014