Balsalazide Disodium Salt Dihydrate - 10mM in DMSO , CAS No.150399-21-6

CAS: 150399-21-6 Cat. No.: B421772 Peso molecular: 437.32 PubChem CID: 135414247

GRADE & PURITY 10mM in DMSO

Synonyms

150399-21-6|Balsalazide Disodium|BALSALAZIDE DISODIUM DIHYDRATE|Balsalazide disodium salt dihydrate|Colazal|Colazide|Balsalazide sodium|BX661A|1XL6BJI034|MFCD01631117|(E)-5-((p-((2-Carboxyethyl)carbamoyl)phenyl)azo)salicylic acid, disodium salt, dihydrate

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

150399-21-6 | Balsalazide Disodium | BALSALAZIDE DISODIUM DIHYDRATE | Balsalazide disodium salt dihydrate | Colazal | Colazide | Balsalazide sodium | BX661A | 1XL6BJI034 | MFCD01631117 | (E)-5-((p-((2-Carboxyethyl)carbamoyl)phenyl)azo)salicylic acid, disodium salt, dihydrate

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.O.O.[Na+].[Na+]
• IUPAC Name: disodium;3-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]benzoyl]amino]propanoate;dihydrate
• InChIKey: XDCNKOBSQURQOZ-UHFFFAOYSA-L
• INCHI: 1S/C17H15N3O6.2Na.2H2O/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;;2*1H2/q;2*+1;;/p-2
• Isómeros SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.O.O.[Na+].[Na+]
• PubChem CID: 135414247
• Peso molecular: 437.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Beta amino acids and derivatives Benzamides Benzoic acids Benzoyl derivatives Phenoxides Vinylogous acids Secondary carboxylic acid amides Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenoxide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Azo compound - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organic alkali metal salt - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 437.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 437.081 Da
• Monoisotopic Mass: 437.081 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 539.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

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