THIOFENTANYL CITRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H26N2OS.C6H8O7
Molecular Weight	534.622
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=MNKCHFQTWXYJCN-UHFFFAOYSA-N

InChI=1S/C20H26N2OS.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,18H,2,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
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 11:07:15 GMT 2023` Edited by `admin` on `Sat Dec 16 11:07:15 GMT 2023`
Record UNII	HK42T776O8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIOFENTANYL CITRATE

Common Name

English

PROPANAMIDE, N-PHENYL-N-(1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701036780

Created by admin on Sat Dec 16 11:07:15 GMT 2023 , Edited by admin on Sat Dec 16 11:07:15 GMT 2023

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FDA UNII

HK42T776O8

Created by admin on Sat Dec 16 11:07:15 GMT 2023 , Edited by admin on Sat Dec 16 11:07:15 GMT 2023

PRIMARY

CAS

1638689-64-1

Created by admin on Sat Dec 16 11:07:15 GMT 2023 , Edited by admin on Sat Dec 16 11:07:15 GMT 2023

PRIMARY

PUBCHEM

131634529

Created by admin on Sat Dec 16 11:07:15 GMT 2023 , Edited by admin on Sat Dec 16 11:07:15 GMT 2023

PRIMARY

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