N-Methyl-5-sulfoanthranilic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO5S
Molecular Weight	231.226
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Methyl-5-sulfoanthranilic acid

Structure Search

SMILES

CNC1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O

InChI

InChIKey=JWNYMRVWULNVDD-UHFFFAOYSA-N

InChI=1S/C8H9NO5S/c1-9-7-3-2-5(15(12,13)14)4-6(7)8(10)11/h2-4,9H,1H3,(H,10,11)(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula	C8H9NO5S
Molecular Weight	231.226
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 `Tue Apr 01 18:49:28 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:28 GMT 2025`
Record UNII	7Y75ML85VW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Methyl-5-sulfoanthranilic acid

Systematic Name

English

2-(Methylamino)-5-sulfobenzoic acid

Preferred Name

English

Anthranilic acid, N-methyl-5-sulfo-

Systematic Name

English

Benzoic acid, 2-(methylamino)-5-sulfo-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60237471

Created by admin on Tue Apr 01 18:49:28 GMT 2025 , Edited by admin on Tue Apr 01 18:49:28 GMT 2025

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FDA UNII

7Y75ML85VW

Created by admin on Tue Apr 01 18:49:28 GMT 2025 , Edited by admin on Tue Apr 01 18:49:28 GMT 2025

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PUBCHEM

66641

Created by admin on Tue Apr 01 18:49:28 GMT 2025 , Edited by admin on Tue Apr 01 18:49:28 GMT 2025

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CAS

89-42-9

Created by admin on Tue Apr 01 18:49:28 GMT 2025 , Edited by admin on Tue Apr 01 18:49:28 GMT 2025

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ECHA (EC/EINECS)

201-907-6

Created by admin on Tue Apr 01 18:49:28 GMT 2025 , Edited by admin on Tue Apr 01 18:49:28 GMT 2025

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