THIOFENTANYL

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H26N2OS
Molecular Weight	342.498
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THIOFENTANYL

Structure Search

SMILES

CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1)C3=CC=CC=C3

InChI

InChIKey=YMRFZDHYDKZXPA-UHFFFAOYSA-N

InChI=1S/C20H26N2OS/c1-2-20(23)22(17-7-4-3-5-8-17)18-10-13-21(14-11-18)15-12-19-9-6-16-24-19/h3-9,16,18H,2,10-15H2,1H3

HIDE SMILES / InChI

Molecular Formula	C20H26N2OS
Molecular Weight	342.498
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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://en.wikipedia.org/wiki/Thiofentanyl	Agonist 2752

PubMed

PubMed

Title	Date	PubMed
Development of an enzyme-linked immunosorbent assay for fentanyl and applications of fentanyl antibody-coated nanoparticles for sample preparation.	2006-06-16	16621415

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:54:07 GMT 2025` Edited by `admin` on `Mon Mar 31 19:54:07 GMT 2025`
Record UNII	954535Y32Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IDS-NT-005

Preferred Name

English

THIOFENTANYL

Common Name

English

PROPIONANILIDE, N-(1-(2-(2-THIENYL)ETHYL)-4-PIPERIDYL)-

Systematic Name

English

N-PHENYL-N-(1-(2-(2-THIENYL)ETHYL)PIPERIDIN-4-YL)PROPANAMIDE

Systematic Name

English

N-(1-(2-(THIENYL)ETHYL)-4-PIPERIDYL)PROPIONANILIDE

Systematic Name

English

NSC-665714

Code

English

IDS-NT-005(SECT.3)

Code

English

PROPANAMIDE, N-PHENYL-N-(1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-

Systematic Name

English

Classification Tree Code System Code

WIKIPEDIA

List_of_fentanyl_analogues

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

DEA NO.

9835

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

Code System Code Type Description

WIKIPEDIA

THIOFENTANYL

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

Thiofentanyl was sold briefly on the black market in the early 1980s, before the introduction of the Federal Analog Act which for the first time attempted to control entire families of drugs based on their structural similarity rather than scheduling each drug individually as they appeared. Thiofentanyl is made with the same synthetic route as fentanyl, but by substituting 2-(2-bromoethyl)thiophene for phenethyl bromide in the synthesis.

CAS

1165-22-6

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

EPA CompTox

DTXSID00151400

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

FDA UNII

954535Y32Y

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

PUBCHEM

62380

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

CHEBI

61099

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

NSC

665714

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

WEB RESOURCE

THIOFENTANYL

Created by admin on Mon Mar 31 19:54:07 GMT 2025 , Edited by admin on Mon Mar 31 19:54:07 GMT 2025

PRIMARY

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ACTIVE MOIETY