phthalylsulfathiazole (CHEBI:9336)

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ChEBI Name	phthalylsulfathiazole

ChEBI ID	CHEBI:9336

Definition	A sulfonamide incorporating 2-carboxybenzamido and 1,3-thiazol-2-yl moieties that is a broad-spectrum antibiotic indicated in the treatment of dysentery, colitis, gastroenteritis and intestinal surgery.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C17H13N3O5S2

Net Charge

Average Mass

403.430

Monoisotopic Mass

403.02966

InChI

InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)

InChIKey

PBMSWVPMRUJMPE-UHFFFAOYSA-N

SMILES

C1(=C(C=CC=C1)C(=O)O)C(NC2=CC=C(S(NC3=NC=CS3)(=O)=O)C=C2)=O

Roles Classification
Biological Role(s):	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. (via sulfonamide antibiotic )

ChEBI Ontology
Outgoing	phthalylsulfathiazole (CHEBI:9336) has functional parent phthalic acid (CHEBI:29069) phthalylsulfathiazole (CHEBI:9336) is a 1,3-thiazoles (CHEBI:38418) phthalylsulfathiazole (CHEBI:9336) is a dicarboxylic acid monoamide (CHEBI:35735) phthalylsulfathiazole (CHEBI:9336) is a sulfonamide (CHEBI:35358) phthalylsulfathiazole (CHEBI:9336) is a sulfonamide antibiotic (CHEBI:87228)

IUPAC Name

2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid

Registry Number	Type	Source
85-73-4	CAS Registry Number	ChemIDplus

Last Modified

13 November 2019