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

Details

Stereochemistry RACEMIC
Molecular Formula C10H9F2N3O
Molecular Weight 225.1948
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((6RS)-4,6-DIFLUORO-6-(1H-1,2,4-TRIAZOL-1-YL)CYCLOHEXA-1,4-DIEN-1-YL)ETHANONE

SMILES

CC(=O)C1=CCC(F)=CC1(F)N2C=NC=N2

InChI

InChIKey=QVNUEMDLWMCXAX-UHFFFAOYSA-N
InChI=1S/C10H9F2N3O/c1-7(16)9-3-2-8(11)4-10(9,12)15-6-13-5-14-15/h3-6H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H9F2N3O
Molecular Weight 225.1948
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:33 GMT 2023
Record UNII
69J0YN9VL8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((6RS)-4,6-DIFLUORO-6-(1H-1,2,4-TRIAZOL-1-YL)CYCLOHEXA-1,4-DIEN-1-YL)ETHANONE
Systematic Name English
ETHANONE, 1-(4,6-DIFLUORO-6-(1H-1,2,4-TRIAZOL-1-YL)-1,4-CYCLOHEXADIEN-1-YL)-
Systematic Name English
FLUCONAZOLE IMPURITY E [WHO-IP]
Common Name English
Code System Code Type Description
PUBCHEM
154572902
Created by admin on Sat Dec 16 11:19:33 GMT 2023 , Edited by admin on Sat Dec 16 11:19:33 GMT 2023
PRIMARY
CAS
1174406-04-2
Created by admin on Sat Dec 16 11:19:33 GMT 2023 , Edited by admin on Sat Dec 16 11:19:33 GMT 2023
PRIMARY
FDA UNII
69J0YN9VL8
Created by admin on Sat Dec 16 11:19:33 GMT 2023 , Edited by admin on Sat Dec 16 11:19:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
In the chromatogram obtained with solution (1): ? the area of any other peak, other than the principal peak, is not greater than 0.2 times the area of the principal peak in the chromatogram obtained with solution (2) (0.1 %); ? the sum of the corrected area of any peak corresponding to impurity B and the areas of all other peaks, other than the principal peak, is not greater than 1.2 times the area of the principal peak in the chromatogram obtained with solution (2) (0.6 %). Disregard any peak with an area less than 0.1 times the area of the principal peak in the chromatogram obtained with solution (2) (0.05 %).
CHROMATOGRAPHIC PURITY (HPLC/UV)