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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N2O4S
Molecular Weight 416.534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAFENTANIL

SMILES

COCC(=O)N(C1=CC=CC=C1)C2(CCN(CCC3=CC=CS3)CC2)C(=O)OC

InChI

InChIKey=HFRKHTCPWUOGHM-UHFFFAOYSA-N
InChI=1S/C22H28N2O4S/c1-27-17-20(25)24(18-7-4-3-5-8-18)22(21(26)28-2)11-14-23(15-12-22)13-10-19-9-6-16-29-19/h3-9,16H,10-15,17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H28N2O4S
Molecular Weight 416.534
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 18:08:52 UTC 2023
Edited
by admin
on Thu Jul 06 18:08:52 UTC 2023
Record UNII
HS2D307FGT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAFENTANIL
Common Name English
A-3080 FREE BASE
Code English
METHYL 4-(N-(2-METHOXYACETYL)ANILINO)-1-(2-THIOPHEN-2-YLETHYL)PIPERIDINE-4-CARBOXYLATE
Systematic Name English
4-PIPERIDINECARBOXYLIC ACID, 4-((2-METHOXYACETYL)PHENYLAMINO)-1-(2-(2-THIENYL)ETHYL)-, METHYL ESTER
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA List_of_fentanyl_analogues
Created by admin on Thu Jul 06 18:08:52 UTC 2023 , Edited by admin on Thu Jul 06 18:08:52 UTC 2023
Code System Code Type Description
FDA UNII
HS2D307FGT
Created by admin on Thu Jul 06 18:08:52 UTC 2023 , Edited by admin on Thu Jul 06 18:08:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID001040106
Created by admin on Thu Jul 06 18:08:52 UTC 2023 , Edited by admin on Thu Jul 06 18:08:52 UTC 2023
PRIMARY
PUBCHEM
13653617
Created by admin on Thu Jul 06 18:08:52 UTC 2023 , Edited by admin on Thu Jul 06 18:08:52 UTC 2023
PRIMARY
CAS
101345-60-2
Created by admin on Thu Jul 06 18:08:52 UTC 2023 , Edited by admin on Thu Jul 06 18:08:52 UTC 2023
PRIMARY
WIKIPEDIA
Thiafentanil
Created by admin on Thu Jul 06 18:08:52 UTC 2023 , Edited by admin on Thu Jul 06 18:08:52 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY