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Details

Stereochemistry MIXED
Molecular Formula C21H28N2OS
Molecular Weight 356.525
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLTHIOFENTANYL

SMILES

CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C3=CC=CC=C3

InChI

InChIKey=SRARDYUHGVMEQI-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C21H28N2OS
Molecular Weight 356.525
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P35372|||G8XRH8|||Q5TDA1|||Q9UN57
Gene ID: 4988.0
Gene Symbol: OPRM1
Target Organism: Homo sapiens (Human)
Target ID: P41145
Gene ID: 4986.0
Gene Symbol: OPRK1
Target Organism: Homo sapiens (Human)
Target ID: P41143
Gene ID: 4985.0
Gene Symbol: OPRD1
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Development of an enzyme-linked immunosorbent assay for fentanyl and applications of fentanyl antibody-coated nanoparticles for sample preparation.
2006 Jun 16
Patents

Patents

Substance Class Chemical
Created
by admin
on Thu Jul 06 15:04:43 UTC 2023
Edited
by admin
on Thu Jul 06 15:04:43 UTC 2023
Record UNII
C9C204973M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLTHIOFENTANYL
Common Name English
J472.964A
Code English
3-METHYLTHIOFENTANIL
Common Name English
IDS-NM-024
Code English
PROPANAMIDE, N-(3-METHYL-1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-N-PHENYL-
Systematic Name English
IDS-NM-024(SECT.3)
Code English
N-(3-METHYL-1-(2-THIENYL)ETHYL-4-PIPERIDINYL)-N-PHENYLPROPANAMIDE
Systematic Name English
Classification Tree Code System Code
DEA NO. 9833
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
WIKIPEDIA List_of_fentanyl_analogues
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
Code System Code Type Description
PUBCHEM
62296
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
CHEBI
53763
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID60861311
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
CAS
86052-04-2
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
WIKIPEDIA
3-METHYLTHIOFENTANYL
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY 3-Methyl-thiofentanyl has similar effects to fentanyl. Side effects of fentanyl analogs are similar to those of fentanyl itself, which include itching, nausea and potentially serious respiratory depression, which can be life-threatening. Fentanyl analogs have killed hundreds of people throughout Europe and the former Soviet republics since the most recent resurgence in use began in Estonia in the early 2000s, and novel derivatives continue to appear.
FDA UNII
C9C204973M
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
DRUG BANK
DB01439
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
WEB RESOURCE
3-METHYLTHIOFENTANYL
Created by admin on Thu Jul 06 15:04:43 UTC 2023 , Edited by admin on Thu Jul 06 15:04:43 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
BINDING
Ki
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY