THIOFENTANYL HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H26N2OS.ClH
Molecular Weight	378.959
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=PYBINXJTQQLXGK-UHFFFAOYSA-N

InChI=1S/C20H26N2OS.ClH/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;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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

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 2678

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:24 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:24 GMT 2023`
Record UNII	51ANLEZ9AK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIOFENTANYL HYDROCHLORIDE

Common Name

English

ANHYDROUS THIOFENTANYL HYDROCHLORIDE

Common Name

English

NIH-10505

Code

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

79278-88-9

Created by admin on Sat Dec 16 10:41:25 GMT 2023 , Edited by admin on Sat Dec 16 10:41:25 GMT 2023

PRIMARY

PUBCHEM

60196324

Created by admin on Sat Dec 16 10:41:25 GMT 2023 , Edited by admin on Sat Dec 16 10:41:25 GMT 2023

PRIMARY

EPA CompTox

DTXSID9048938

Created by admin on Sat Dec 16 10:41:25 GMT 2023 , Edited by admin on Sat Dec 16 10:41:25 GMT 2023

PRIMARY

FDA UNII

51ANLEZ9AK

Created by admin on Sat Dec 16 10:41:25 GMT 2023 , Edited by admin on Sat Dec 16 10:41:25 GMT 2023

PRIMARY

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ACTIVE MOIETY

Amount: