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

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H9F2N3O.CH4O3S
Molecular Weight	333.311
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=NJBRNNOGZPVNNR-UHFFFAOYSA-N

InChI=1S/C11H9F2N3O.CH4O3S/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16;1-5(2,3)4/h1-3,6-7H,4-5H2;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C11H9F2N3O
Molecular Weight	237.2055
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:57:27 UTC 2023` Edited by `admin` on `Sat Dec 16 19:57:27 UTC 2023`
Record UNII	QB4948WV8P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)oxiranyl]methyl]-, monomethanesulfonate

Systematic Name

English

2-(2,4-Difluorophenyl)-2,3-epoxy-1-(1H-1,2,4-triazol-1-yl)propane methanesulfonate salt

Systematic Name

English

2-(2,4-Difluorophenyl)-2-((1H-1,2,4-triazol-1-yl)methyl)oxirane methanesulfonate

Systematic Name

English

1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-, methanesulfonate (1:1)

Systematic Name

English

Code System Code Type Description

CAS

86386-77-8

Created by admin on Sat Dec 16 19:57:27 UTC 2023 , Edited by admin on Sat Dec 16 19:57:27 UTC 2023

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PUBCHEM

13059700

Created by admin on Sat Dec 16 19:57:27 UTC 2023 , Edited by admin on Sat Dec 16 19:57:27 UTC 2023

PRIMARY

FDA UNII

QB4948WV8P

Created by admin on Sat Dec 16 19:57:27 UTC 2023 , Edited by admin on Sat Dec 16 19:57:27 UTC 2023

PRIMARY

Related Record Type Details


					616851VAC8

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

PARENT -> SALT/SOLVATE

Amount: