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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 of THIOFENTANYL CITRATE

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

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P35372|||G8XRH8|||Q5TDA1|||Q9UN57
Gene ID: 4988.0
Gene Symbol: OPRM1
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
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:07:15 UTC 2023
Edited
by admin
on Sat Dec 16 11:07:15 UTC 2023
Record UNII
HK42T776O8
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 11:07:15 UTC 2023
PRIMARY
FDA UNII
HK42T776O8
Created by admin on Sat Dec 16 11:07:15 UTC 2023 , Edited by admin on Sat Dec 16 11:07:15 UTC 2023
PRIMARY
CAS
1638689-64-1
Created by admin on Sat Dec 16 11:07:15 UTC 2023 , Edited by admin on Sat Dec 16 11:07:15 UTC 2023
PRIMARY
PUBCHEM
131634529
Created by admin on Sat Dec 16 11:07:15 UTC 2023 , Edited by admin on Sat Dec 16 11:07:15 UTC 2023
PRIMARY
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ACTIVE MOIETY