1-(((2RS)-2-(2,4-DIFLUOROPHENYL)OXIRAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H9F2N3O
Molecular Weight	237.2055
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(((2RS)-2-(2,4-DIFLUOROPHENYL)OXIRAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE

SMILES

FC1=CC=C(C(F)=C1)C3(CN2C=NC=N2)CO3

InChI

InChIKey=UIXQTZYZQHYHRL-UHFFFAOYSA-N

InChI=1S/C11H9F2N3O/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16/h1-3,6-7H,4-5H2

HIDE SMILES / InChI

Molecular Formula	C11H9F2N3O
Molecular Weight	237.2055
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Patents

Patents

Substance Class	Chemical
Record UNII	616851VAC8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(((2RS)-2-(2,4-DIFLUOROPHENYL)OXIRAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE

Systematic Name

English

FLUCONAZOLE IMPURITY G [EP IMPURITY]

Preferred Name

English

1-((2-(2,4-DIFLUOROPHENYL)OXIRANYL)METHYL)-1H-1,2,4-TRIAZOLE

Systematic Name

English

1H-1,2,4-TRIAZOLE, 1-((2-(2,4-DIFLUOROPHENYL)-2-OXIRANYL)METHYL)-

Systematic Name

English

2-(2,4-DIFLUOROPHENYL)-2-((1H-1,2,4-TRIAZOL-1-YL)METHYL)OXIRANE

Systematic Name

English

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Code System

Code

Type

Description

FDA UNII

616851VAC8

PRIMARY

CAS

86386-76-7

PRIMARY

PUBCHEM

10130921

PRIMARY

EPA CompTox

DTXSID301183907

PRIMARY

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Related Record

Type

Details


					QB4948WV8P

1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate

SALT/SOLVATE -> PARENT

Amount:

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Related Record

Type

Details


					8VZV102JFY

FLUCONAZOLE

PARENT -> IMPURITY

Comments:

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 %).

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

WEIGHT PERCENT [<0.1] % (limits)
peak value

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