4-(3-METHYLPHENYL)-2H-PYRIDO(4,3-E)-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H11N3O3S
Molecular Weight	289.31
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(3-METHYLPHENYL)-2H-PYRIDO(4,3-E)-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE

Structure Search

SMILES

CC1=CC(=CC=C1)N2C(=O)NS(=O)(=O)C3=C2C=CN=C3

InChI

InChIKey=QMCVPDNHQUBJPG-UHFFFAOYSA-N

InChI=1S/C13H11N3O3S/c1-9-3-2-4-10(7-9)16-11-5-6-14-8-12(11)20(18,19)15-13(16)17/h2-8H,1H3,(H,15,17)

HIDE SMILES / InChI

Molecular Formula	C13H11N3O3S
Molecular Weight	289.31
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 08:33:03 UTC 2023` Edited by `admin` on `Sat Dec 16 08:33:03 UTC 2023`
Record UNII	S2V55A7A7X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(3-METHYLPHENYL)-2H-PYRIDO(4,3-E)-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE

Systematic Name

English

TORASEMIDE IMPURITY A [EP IMPURITY]

Common Name

English

2H-PYRIDO(4,3-E)-1,2,4-THIADIAZIN-3(4H)-ONE, 4-(3-METHYLPHENYL)-, 1,1-DIOXIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

S2V55A7A7X

Created by admin on Sat Dec 16 08:33:03 UTC 2023 , Edited by admin on Sat Dec 16 08:33:03 UTC 2023

PRIMARY

PUBCHEM

29984242

Created by admin on Sat Dec 16 08:33:03 UTC 2023 , Edited by admin on Sat Dec 16 08:33:03 UTC 2023

PRIMARY

CAS

72810-61-8

Created by admin on Sat Dec 16 08:33:03 UTC 2023 , Edited by admin on Sat Dec 16 08:33:03 UTC 2023

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RS_ITEM_NUM

1672359

Created by admin on Sat Dec 16 08:33:03 UTC 2023 , Edited by admin on Sat Dec 16 08:33:03 UTC 2023

PRIMARY

EPA CompTox

DTXSID80223134

Created by admin on Sat Dec 16 08:33:03 UTC 2023 , Edited by admin on Sat Dec 16 08:33:03 UTC 2023

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Related Record Type Details


					W31X2H97FB

TORSEMIDE

PARENT -> IMPURITY

Comments:

correction factors: for the calculation of content, multiply the peak areas of the following impurities by the corresponding correction factor: impurity A = 5.1

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: