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Details

Stereochemistry RACEMIC
Molecular Formula C13H10Cl2F3N3O2S
Molecular Weight 400.204
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETOPROLE

SMILES

C[S+]([O-])C1=C(N)N(N=C1C(C)=O)C2=C(Cl)C=C(C=C2Cl)C(F)(F)F

InChI

InChIKey=GDZNYEZGJAFIKA-UHFFFAOYSA-N
InChI=1S/C13H10Cl2F3N3O2S/c1-5(22)9-11(24(2)23)12(19)21(20-9)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,19H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H10Cl2F3N3O2S
Molecular Weight 400.204
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 09:29:52 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:52 GMT 2023
Record UNII
6PH9942U0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETOPROLE
ISO  
Common Name English
ACETOPROLE [ISO]
Common Name English
RPA-115782
Code English
ETHANONE, 1-(5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(METHYLSULFINYL)-1H-PYRAZOL-3-YL)-
Systematic Name English
Code System Code Type Description
CAS
209861-58-5
Created by admin on Sat Dec 16 09:29:52 GMT 2023 , Edited by admin on Sat Dec 16 09:29:52 GMT 2023
PRIMARY
CHEBI
133321
Created by admin on Sat Dec 16 09:29:52 GMT 2023 , Edited by admin on Sat Dec 16 09:29:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID0058017
Created by admin on Sat Dec 16 09:29:52 GMT 2023 , Edited by admin on Sat Dec 16 09:29:52 GMT 2023
PRIMARY
ALANWOOD
acetoprole
Created by admin on Sat Dec 16 09:29:52 GMT 2023 , Edited by admin on Sat Dec 16 09:29:52 GMT 2023
PRIMARY
PUBCHEM
11069398
Created by admin on Sat Dec 16 09:29:52 GMT 2023 , Edited by admin on Sat Dec 16 09:29:52 GMT 2023
PRIMARY
FDA UNII
6PH9942U0U
Created by admin on Sat Dec 16 09:29:52 GMT 2023 , Edited by admin on Sat Dec 16 09:29:52 GMT 2023
PRIMARY