U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H12F2N6O
Molecular Weight 306.2708
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISO FLUCONAZOLE

SMILES

OC(CN1C=NN=C1)(CN2C=NC=N2)C3=CC=C(F)C=C3F

InChI

InChIKey=SAXXZPKHUDPGQQ-UHFFFAOYSA-N
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-17-18-9-20)5-21-7-16-6-19-21/h1-3,6-9,22H,4-5H2

HIDE SMILES / InChI

Molecular Formula C13H12F2N6O
Molecular Weight 306.2708
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 06:58:20 UTC 2023
Edited
by admin
on Sat Dec 16 06:58:20 UTC 2023
Record UNII
9T59BRP61E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISO FLUCONAZOLE
Common Name English
(±)-2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-3-(4H-1,2,4-TRIAZOL-4-YL)PROPAN-2-OL
Systematic Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-.ALPHA.-(4H-1,2,4-TRIAZOL-4-YLMETHYL)-
Systematic Name English
2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-3-(4H-1,2,4-TRIAZOL-4-YL)PROPAN-2-OL, (2RS)-
Systematic Name English
FLUCONAZOLE IMPURITY A [EP IMPURITY]
Common Name English
(2RS)-2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-3-(4H-1,2,4-TRIAZOL-4-YL)PROPAN-2-OL
Systematic Name English
FLUCONAZOLE IMPURITY A [WHO-IP]
Common Name English
Code System Code Type Description
CAS
89429-59-4
Created by admin on Sat Dec 16 06:58:20 UTC 2023 , Edited by admin on Sat Dec 16 06:58:20 UTC 2023
PRIMARY
FDA UNII
9T59BRP61E
Created by admin on Sat Dec 16 06:58:20 UTC 2023 , Edited by admin on Sat Dec 16 06:58:20 UTC 2023
PRIMARY
PUBCHEM
15788287
Created by admin on Sat Dec 16 06:58:20 UTC 2023 , Edited by admin on Sat Dec 16 06:58:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
In the chromatogram obtained with solution (1): ? the area of any peak corresponding to impurity A is not is not greater than 0.8 times the area of the principal peak in the chromatogram obtained with solution (2) (0.4 %)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP