3-AMINO-4-PHENOXY-5-SULFAMOYLBENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12N2O5S
Molecular Weight	308.31
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-AMINO-4-PHENOXY-5-SULFAMOYLBENZOIC ACID

Structure Search

SMILES

NC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O

InChI

InChIKey=GVQZPZSQRCXSJI-UHFFFAOYSA-N

InChI=1S/C13H12N2O5S/c14-10-6-8(13(16)17)7-11(21(15,18)19)12(10)20-9-4-2-1-3-5-9/h1-7H,14H2,(H,16,17)(H2,15,18,19)

HIDE SMILES / InChI

Molecular Formula	C13H12N2O5S
Molecular Weight	308.31
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 `Thu Jul 06 23:49:37 UTC 2023` Edited by `admin` on `Thu Jul 06 23:49:37 UTC 2023`
Record UNII	9D69CZ7VGU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-AMINO-4-PHENOXY-5-SULFAMOYLBENZOIC ACID

Systematic Name

English

3-AMINO-5-(AMINOSULFONYL)-4-PHENOXYBENZOIC ACID

Systematic Name

English

BUMETANIDE RELATED COMPOUND A [USP-RS]

Common Name

English

BENZOIC ACID, 3-AMINO-5-(AMINOSULFONYL)-4-PHENOXY-

Systematic Name

English

BUMETANIDE RELATED COMPOUND A [USP IMPURITY]

Common Name

English

DESBUTYLBUMETANIDE

Common Name

English

BUMETANIDE IMPURITY B [EP IMPURITY]

Common Name

English

Code System Code Type Description

RS_ITEM_NUM

1078325

Created by admin on Thu Jul 06 23:49:37 UTC 2023 , Edited by admin on Thu Jul 06 23:49:37 UTC 2023

PRIMARY

ECHA (EC/EINECS)

248-971-1

Created by admin on Thu Jul 06 23:49:37 UTC 2023 , Edited by admin on Thu Jul 06 23:49:37 UTC 2023

PRIMARY

PUBCHEM

119927

Created by admin on Thu Jul 06 23:49:37 UTC 2023 , Edited by admin on Thu Jul 06 23:49:37 UTC 2023

PRIMARY

FDA UNII

9D69CZ7VGU

Created by admin on Thu Jul 06 23:49:37 UTC 2023 , Edited by admin on Thu Jul 06 23:49:37 UTC 2023

PRIMARY

EPA CompTox

DTXSID10182568

Created by admin on Thu Jul 06 23:49:37 UTC 2023 , Edited by admin on Thu Jul 06 23:49:37 UTC 2023

PRIMARY

CAS

28328-54-3

Created by admin on Thu Jul 06 23:49:37 UTC 2023 , Edited by admin on Thu Jul 06 23:49:37 UTC 2023

PRIMARY

Related Record Type Details


					0Y2S3XUQ5H

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (TLC)

Qualification:

USP

Amount: