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Details

Stereochemistry RACEMIC
Molecular Formula C13H14F2N7O
Molecular Weight 322.2934
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-AMINO-1-2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-3(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-4H-1,2,4-TRIAZOLIUM ION

SMILES

NN1C=N[N+](CC(O)(CN2C=NC=N2)C3=CC=C(F)C=C3F)=C1

InChI

InChIKey=DECZJQPCJNAVHD-UHFFFAOYSA-N
InChI=1S/C13H14F2N7O/c14-10-1-2-11(12(15)3-10)13(23,4-21-7-17-6-18-21)5-22-9-20(16)8-19-22/h1-3,6-9,23H,4-5,16H2/q+1

HIDE SMILES / InChI

Molecular Formula C13H13F2N7O
Molecular Weight 321.2854
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 07:15:32 UTC 2023
Edited
by admin
on Sat Dec 16 07:15:32 UTC 2023
Record UNII
7753V1DC29
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-1-2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-3(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-4H-1,2,4-TRIAZOLIUM ION
Common Name English
4-AMINO-1-((2RS)-2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-3(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-4H-1,2,4-TRIAZOLIUM
Systematic Name English
4H-1,2,4-TRIAZOLIUM, 4-AMINO-1-(2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-3-(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-
Systematic Name English
FLUCONAZOLE IMPURITY I [WHO-IP]
Common Name English
FLUCONAZOLE IMPURITY I [EP IMPURITY]
Common Name English
(±)-4H-1,2,4-TRIAZOLIUM, 4-AMINO-1-(2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-3-(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11133513
Created by admin on Sat Dec 16 07:15:32 UTC 2023 , Edited by admin on Sat Dec 16 07:15:32 UTC 2023
PRIMARY
FDA UNII
7753V1DC29
Created by admin on Sat Dec 16 07:15:32 UTC 2023 , Edited by admin on Sat Dec 16 07:15:32 UTC 2023
PRIMARY
CAS
749821-19-0
Created by admin on Sat Dec 16 07:15:32 UTC 2023 , Edited by admin on Sat Dec 16 07:15:32 UTC 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