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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13FN6O
Molecular Weight 288.2803
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-FLUOROPHENYL)-1,3-BIS(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

SMILES

OC(CN1C=NC=N1)(CN2C=NC=N2)C3=CC=C(F)C=C3

InChI

InChIKey=HUEOBFHUKGPCHO-UHFFFAOYSA-N
InChI=1S/C13H13FN6O/c14-12-3-1-11(2-4-12)13(21,5-19-9-15-7-17-19)6-20-10-16-8-18-20/h1-4,7-10,21H,5-6H2

HIDE SMILES / InChI

Molecular Formula C13H13FN6O
Molecular Weight 288.2803
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 07:43:00 GMT 2023
Edited
by admin
on Sat Dec 16 07:43:00 GMT 2023
Record UNII
5JV2G3V5W0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-FLUOROPHENYL)-1,3-BIS(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Systematic Name English
FLUCONAZOLE RELATED COMPOUND B [USP IMPURITY]
Common Name English
FLUCONAZOLE RELATED COMPOUND B [USP-RS]
Common Name English
FLUCONAZOLE IMPURITY D [EP IMPURITY]
Common Name English
FLUCONAZOLE RELATED COMPOUND B
USP-RS  
Common Name English
FLUCONAZOLE IMPURITY D [WHO-IP]
Common Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(4-FLUOROPHENYL)-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-
Systematic Name English
Code System Code Type Description
CAS
81886-51-3
Created by admin on Sat Dec 16 07:43:00 GMT 2023 , Edited by admin on Sat Dec 16 07:43:00 GMT 2023
PRIMARY
RS_ITEM_NUM
1271722
Created by admin on Sat Dec 16 07:43:00 GMT 2023 , Edited by admin on Sat Dec 16 07:43:00 GMT 2023
PRIMARY
PUBCHEM
134034
Created by admin on Sat Dec 16 07:43:00 GMT 2023 , Edited by admin on Sat Dec 16 07:43:00 GMT 2023
PRIMARY
FDA UNII
5JV2G3V5W0
Created by admin on Sat Dec 16 07:43:00 GMT 2023 , Edited by admin on Sat Dec 16 07:43:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID801002283
Created by admin on Sat Dec 16 07:43:00 GMT 2023 , Edited by admin on Sat Dec 16 07:43:00 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