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Details

Stereochemistry RACEMIC
Molecular Formula C13H14F2N7O.Br
Molecular Weight 402.197
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino Fluconazole Bromide

SMILES

[Br-].N[N+]1=CN(CC(O)(CN2C=NC=N2)C3=CC=C(F)C=C3F)N=C1

InChI

InChIKey=HEIWHMKVRUYLHG-UHFFFAOYSA-M
InChI=1S/C13H14F2N7O.BrH/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;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Amino Fluconazole Bromide
Common Name English
Fluconazole Impurity I
Preferred Name English
4-Amino-1-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-1H-1,2,4-triazol-4-ium bromide
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]-, bromide (1:1)
Systematic Name English
1H-1,2,4-Triazolium, 4-amino-1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-, bromide
Systematic Name English
Code System Code Type Description
CAS
150168-54-0
Created by admin on Wed Apr 02 21:10:37 GMT 2025 , Edited by admin on Wed Apr 02 21:10:37 GMT 2025
PRIMARY
PUBCHEM
15390419
Created by admin on Wed Apr 02 21:10:37 GMT 2025 , Edited by admin on Wed Apr 02 21:10:37 GMT 2025
PRIMARY
FDA UNII
Q3GF9X3UF6
Created by admin on Wed Apr 02 21:10:37 GMT 2025 , Edited by admin on Wed Apr 02 21:10:37 GMT 2025
PRIMARY
NIH
NCATS
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