3-METHYLTHIOFENTANYL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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 Target	Pharmacology	Condition	Potency
Mu-type opioid receptor 61 Target ID: P35372\|\|\|G8XRH8\|\|\|Q5TDA1\|\|\|Q9UN57 Gene ID: 4988.0 Gene Symbol: OPRM1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/16376082	Agonist 2678
Kappa-type opioid receptor 60 Target ID: P41145 Gene ID: 4986.0 Gene Symbol: OPRK1 Target Organism: Homo sapiens (Human) Sources: https://www.drugbank.ca/drugs/DB01439#BE0000770	Agonist 2678
Delta-type opioid receptor 45 Target ID: P41143 Gene ID: 4985.0 Gene Symbol: OPRD1 Target Organism: Homo sapiens (Human) Sources: https://www.drugbank.ca/drugs/DB01439#BE0000770	Agonist 2678

PubMed

PubMed

Title	Date	PubMed
Development of an enzyme-linked immunosorbent assay for fentanyl and applications of fentanyl antibody-coated nanoparticles for sample preparation.	2006 Jun 16	16621415

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:34:56 UTC 2023` Edited by `admin` on `Sat Dec 16 09:34:56 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 Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

WIKIPEDIA

List_of_fentanyl_analogues

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

Code System Code Type Description

PUBCHEM

62296

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

PRIMARY

CHEBI

53763

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID60861311

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

PRIMARY

CAS

86052-04-2

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

PRIMARY

WIKIPEDIA

3-METHYLTHIOFENTANYL

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 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 Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

PRIMARY

DRUG BANK

DB01439

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

PRIMARY

WEB RESOURCE

3-METHYLTHIOFENTANYL

Created by admin on Sat Dec 16 09:34:56 UTC 2023 , Edited by admin on Sat Dec 16 09:34:56 UTC 2023

PRIMARY

Related Record Type Details


					2BJ58BX78W

KAPPA-TYPE OPIOID RECEPTOR

TARGET -> AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					1PE72K8X46

MU-TYPE OPIOID RECEPTOR

TARGET -> AGONIST

Related Record Type Details


					C9C204973M

3-METHYLTHIOFENTANYL

ACTIVE MOIETY