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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N2O4S.C2H2O4
Molecular Weight 506.569
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAFENTANIL OXALATE

SMILES

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

InChI

InChIKey=NHPPWKIWKNUHSS-UHFFFAOYSA-N
InChI=1S/C22H28N2O4S.C2H2O4/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;3-1(4)2(5)6/h3-9,16H,10-15,17H2,1-2H3;(H,3,4)(H,5,6)

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

Molecular Formula C2H2O4
Molecular Weight 90.0349
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 Sat Dec 16 12:35:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:10 GMT 2023
Record UNII
5Z3JX123QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAFENTANIL OXALATE
Common Name English
A3080
Code English
4-PIPERIDINECARBOXYLIC ACID, 4-((2-METHOXYACETYL)PHENYLAMINO)-1-(2-(2-THIENYL)ETHYL)-, METHYL ESTER, ETHANEDIOATE
Systematic Name English
A-3080
Code English
Code System Code Type Description
PUBCHEM
122706842
Created by admin on Sat Dec 16 12:35:10 GMT 2023 , Edited by admin on Sat Dec 16 12:35:10 GMT 2023
PRIMARY
CAS
101365-73-5
Created by admin on Sat Dec 16 12:35:10 GMT 2023 , Edited by admin on Sat Dec 16 12:35:10 GMT 2023
PRIMARY
FDA UNII
5Z3JX123QJ
Created by admin on Sat Dec 16 12:35:10 GMT 2023 , Edited by admin on Sat Dec 16 12:35:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE