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

Details

Stereochemistry RACEMIC
Molecular Formula C11H11F2N3O2
Molecular Weight 255.2207
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANE-1,2-DIOL

SMILES

OCC(O)(CN1C=NC=N1)C2=CC=C(F)C=C2F

InChI

InChIKey=BZYVJTMKMDGJRN-UHFFFAOYSA-N
InChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2

HIDE SMILES / InChI

Molecular Formula C11H11F2N3O2
Molecular Weight 255.2207
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:43:01 GMT 2023
Edited
by admin
on Sat Dec 16 07:43:01 GMT 2023
Record UNII
GJO17O8W8V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANE-1,2-DIOL
Systematic Name English
(2RS)-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANE-1,2-DIOL
Systematic Name English
(±)-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANE-1,2-DIOL
Systematic Name English
FLUCONAZOLE IMPURITY F [WHO-IP]
Common Name English
2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANE-1,2-DIOL, (2RS)-
Systematic Name English
1,2-PROPANEDIOL, 2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPANE-1,2-DIOL, (±)-
Systematic Name English
FLUCONAZOLE IMPURITY F [EP IMPURITY]
Common Name English
FLUCONAZOLE DIOL IMPURITY
Common Name English
Code System Code Type Description
CAS
118689-07-9
Created by admin on Sat Dec 16 07:43:01 GMT 2023 , Edited by admin on Sat Dec 16 07:43:01 GMT 2023
PRIMARY
PUBCHEM
10988840
Created by admin on Sat Dec 16 07:43:01 GMT 2023 , Edited by admin on Sat Dec 16 07:43:01 GMT 2023
PRIMARY
FDA UNII
GJO17O8W8V
Created by admin on Sat Dec 16 07:43:01 GMT 2023 , Edited by admin on Sat Dec 16 07:43:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID00922753
Created by admin on Sat Dec 16 07:43:01 GMT 2023 , Edited by admin on Sat Dec 16 07:43:01 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)
EP