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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

Approval Year

Unknown
139594
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 GMT 2023 , Edited by admin on Sat Dec 16 07:15:32 GMT 2023
PRIMARY
FDA UNII
7753V1DC29
Created by admin on Sat Dec 16 07:15:32 GMT 2023 , Edited by admin on Sat Dec 16 07:15:32 GMT 2023
PRIMARY
CAS
749821-19-0
Created by admin on Sat Dec 16 07:15:32 GMT 2023 , Edited by admin on Sat Dec 16 07:15:32 GMT 2023
PRIMARY
NIH
NCATS
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