U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of THIOFENTANYL HYDROCHLORIDE

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

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 10:41:24 UTC 2023
Edited
by admin
on Sat Dec 16 10:41:24 UTC 2023
Record UNII
51ANLEZ9AK
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 10:41:25 UTC 2023
PRIMARY
PUBCHEM
60196324
Created by admin on Sat Dec 16 10:41:25 UTC 2023 , Edited by admin on Sat Dec 16 10:41:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID9048938
Created by admin on Sat Dec 16 10:41:25 UTC 2023 , Edited by admin on Sat Dec 16 10:41:25 UTC 2023
PRIMARY
FDA UNII
51ANLEZ9AK
Created by admin on Sat Dec 16 10:41:25 UTC 2023 , Edited by admin on Sat Dec 16 10:41:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY