4-DEFLUORO-4-(1H-1,2,4-TRIAZOL-1-YL) FLUCONAZOLE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H14FN9O
Molecular Weight	355.3298
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-DEFLUORO-4-(1H-1,2,4-TRIAZOL-1-YL) FLUCONAZOLE

Structure Search

SMILES

OC(CN1C=NC=N1)(CN2C=NC=N2)C3=CC=C(C=C3F)N4C=NC=N4

InChI

InChIKey=MMBHIHSCHXTGOX-UHFFFAOYSA-N

InChI=1S/C15H14FN9O/c16-14-3-12(25-11-19-8-22-25)1-2-13(14)15(26,4-23-9-17-6-20-23)5-24-10-18-7-21-24/h1-3,6-11,26H,4-5H2

HIDE SMILES / InChI

Molecular Formula	C15H14FN9O
Molecular Weight	355.3298
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:58:33 GMT 2023` Edited by `admin` on `Sat Dec 16 06:58:33 GMT 2023`
Record UNII	AN4DW1HE06
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DEFLUORO-4-(1H-1,2,4-TRIAZOL-1-YL) FLUCONAZOLE

Common Name

English

FLUCONAZOLE RELATED COMPOUND A [USP-RS]

Common Name

English

FLUCONAZOLE IMPURITY B [WHO-IP]

Common Name

English

2-(2-FLUORO-4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL)-1,3-BIS(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

Systematic Name

English

FLUCONAZOLE IMPURITY B [EP IMPURITY]

Common Name

English

1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(2-FLUORO-4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL)-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-

Systematic Name

English

FLUCONAZOLE RELATED COMPOUND A [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

AN4DW1HE06

Created by admin on Sat Dec 16 06:58:33 GMT 2023 , Edited by admin on Sat Dec 16 06:58:33 GMT 2023

PRIMARY

EPA CompTox

DTXSID70236152

Created by admin on Sat Dec 16 06:58:33 GMT 2023 , Edited by admin on Sat Dec 16 06:58:33 GMT 2023

PRIMARY

RS_ITEM_NUM

1271711

Created by admin on Sat Dec 16 06:58:33 GMT 2023 , Edited by admin on Sat Dec 16 06:58:33 GMT 2023

PRIMARY

CAS

871550-15-1

Created by admin on Sat Dec 16 06:58:33 GMT 2023 , Edited by admin on Sat Dec 16 06:58:33 GMT 2023

PRIMARY

PUBCHEM

11624578

Created by admin on Sat Dec 16 06:58:33 GMT 2023 , Edited by admin on Sat Dec 16 06:58:33 GMT 2023

PRIMARY

Related Record Type Details


					8VZV102JFY

PARENT -> IMPURITY

Comments:

In the chromatogram obtained with solution (1): ? the area of any peak corresponding to impurity B, when multiplied by a correction factor of 1.5, is not greater than 0.3 times the area of the principal peak in the chromatogram obtained with solution (3) (0.3 %)

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					8VZV102JFY

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: