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Tox21_300541
Also known as:
Molecular Formula
C18H14N4O5S
Molecular Weight
398.4  g/mol
InChI Key
OQANPHBRHBJGNZ-BKUYFWCQSA-N

1 2D Structure

Tox21_300541

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3Z)-6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid
2.1.2 InChI
InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,20H,(H,19,22)(H,24,25)/b21-13-
2.1.3 InChI Key
OQANPHBRHBJGNZ-BKUYFWCQSA-N
2.1.4 Canonical SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O
2.1.5 Isomeric SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=CC(=O)C(=C3)C(=O)O
2.2 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 398.4 g/mol
Molecular Formula C18H14N4O5S
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass398.06849073 g/mol
Monoisotopic Mass398.06849073 g/mol
Topological Polar Surface Area146 A^2
Heavy Atom Count28
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Information
1 of 6  
Drug NameAzulfidine
PubMed HealthSalicylate (Oral route, Rectal route)
Drug ClassesAntirheumatic, Gastrointestinal Agent
Drug LabelAZULFIDINE EN-tabs Tablets contain sulfasalazine, formulated in a delayed release tablet (enteric-coated), 500 mg, for oral administration.AZULFIDINE EN-tabs Tablets are film coated with cellulose acetate phthalate to retard disintegration of the tab...
Active IngredientSulfasalazine
Dosage FormTablet; Suspension
RouteOral
Strength500mg; 250mg/5ml
Market StatusPrescription
CompanyPharmacia And Upjohn

2 of 6  
Drug NameAzulfidine en-tabs
PubMed HealthSulfasalazine (By mouth)
Drug LabelAZULFIDINE EN-tabs Tablets contain sulfasalazine, formulated in a delayed release tablet (enteric-coated), 500 mg, for oral administration.AZULFIDINE EN-tabs Tablets are film coated with cellulose acetate phthalate to retard disintegration of the tab...
Active IngredientSulfasalazine
Dosage FormTablet; Tablet, delayed release
Routeoral; Oral
Strength500mg
Market StatusPrescription
CompanyPharmacia Upjohn; Pharmacia And Upjohn

3 of 6  
Drug NameSulfasalazine
Drug LabelSulfasalazine Tablets USP, 500 mg for Oral AdministrationTherapeutic classification: Anti-inflammatory agent.Chemical designation: 5-[[p-(2-Pyridylsulfamoyl)phenyl]azo]salicylic acid.Chemical Structure:The molecular weight of sulfasalazine is 398.39....
Active IngredientSulfasalazine
Dosage FormTablet; Tablet, delayed release
RouteOral
Strength500mg
Market StatusPrescription
CompanyVintage Pharms; Watson Labs

4 of 6  
Drug NameAzulfidine
PubMed HealthSalicylate (Oral route, Rectal route)
Drug ClassesAntirheumatic, Gastrointestinal Agent
Drug LabelAZULFIDINE EN-tabs Tablets contain sulfasalazine, formulated in a delayed release tablet (enteric-coated), 500 mg, for oral administration.AZULFIDINE EN-tabs Tablets are film coated with cellulose acetate phthalate to retard disintegration of the tab...
Active IngredientSulfasalazine
Dosage FormTablet; Suspension
RouteOral
Strength500mg; 250mg/5ml
Market StatusPrescription
CompanyPharmacia And Upjohn

5 of 6  
Drug NameAzulfidine en-tabs
PubMed HealthSulfasalazine (By mouth)
Drug LabelAZULFIDINE EN-tabs Tablets contain sulfasalazine, formulated in a delayed release tablet (enteric-coated), 500 mg, for oral administration.AZULFIDINE EN-tabs Tablets are film coated with cellulose acetate phthalate to retard disintegration of the tab...
Active IngredientSulfasalazine
Dosage FormTablet; Tablet, delayed release
Routeoral; Oral
Strength500mg
Market StatusPrescription
CompanyPharmacia Upjohn; Pharmacia And Upjohn

6 of 6  
Drug NameSulfasalazine
Drug LabelSulfasalazine Tablets USP, 500 mg for Oral AdministrationTherapeutic classification: Anti-inflammatory agent.Chemical designation: 5-[[p-(2-Pyridylsulfamoyl)phenyl]azo]salicylic acid.Chemical Structure:The molecular weight of sulfasalazine is 398.39....
Active IngredientSulfasalazine
Dosage FormTablet; Tablet, delayed release
RouteOral
Strength500mg
Market StatusPrescription
CompanyVintage Pharms; Watson Labs

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