4-Amino Fluconazole Bromide

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

Structure Search

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

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H14F2N7O
Molecular Weight	322.2934
Charge	1
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 `Wed Apr 02 21:10:37 GMT 2025` Edited by `admin` on `Wed Apr 02 21:10:37 GMT 2025`
Record UNII	Q3GF9X3UF6
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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Related Record Type Details


					7753V1DC29

4-AMINO-1-2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-3(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-4H-1,2,4-TRIAZOLIUM ION

PARENT -> SALT/SOLVATE

Amount: