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Details

Stereochemistry RACEMIC
Molecular Formula C11H10BrF2N3O
Molecular Weight 318.117
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BROMO-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

SMILES

OC(CBr)(CN1C=NC=N1)C2=CC=C(F)C=C2F

InChI

InChIKey=CFMLSIOEVNQGQY-UHFFFAOYSA-N
InChI=1S/C11H10BrF2N3O/c12-4-11(18,5-17-7-15-6-16-17)9-2-1-8(13)3-10(9)14/h1-3,6-7,18H,4-5H2

HIDE SMILES / InChI

Molecular Formula C11H10BrF2N3O
Molecular Weight 318.117
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 05:54:54 UTC 2023
Edited
by admin
on Sat Dec 16 05:54:54 UTC 2023
Record UNII
940ZD7T683
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BROMO-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Systematic Name English
FLUCONAZOLE IMPURITY H [EP IMPURITY]
Common Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(BROMOMETHYL)-.ALPHA.-(2,4-DIFLUOROPHENYL)-
Systematic Name English
1-BROMO-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, (2SR)-
Systematic Name English
(2RS)-1-BROMO-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Systematic Name English
(±)-2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-3-BROMOPROPAN-2-OL
Systematic Name English
2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-3-BROMOPROPAN-2-OL
Systematic Name English
FLUCONAZOLE IMPURITY H [WHO-IP]
Common Name English
Code System Code Type Description
PUBCHEM
15390420
Created by admin on Sat Dec 16 05:54:54 UTC 2023 , Edited by admin on Sat Dec 16 05:54:54 UTC 2023
PRIMARY
CAS
150194-52-8
Created by admin on Sat Dec 16 05:54:54 UTC 2023 , Edited by admin on Sat Dec 16 05:54:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID501162353
Created by admin on Sat Dec 16 05:54:54 UTC 2023 , Edited by admin on Sat Dec 16 05:54:54 UTC 2023
PRIMARY
FDA UNII
940ZD7T683
Created by admin on Sat Dec 16 05:54:54 UTC 2023 , Edited by admin on Sat Dec 16 05:54:54 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