ALuminon(ATA) - AR , CAS No.569-58-4

CAS: 569-58-4 Cat. No.: A104152 Peso molecular: 473.43 Beilstein Registry Number: 3900820 Número EC: 209-319-1

GRADE & PURITY AR

Synonyms

Aurintricarboxylic acid ammonium salt, powder | MFCD00040925 | Aluminon | Aluminon, JIS special grade | Aurintricarboxylic acid ammonium salt, ACS reagent | Ammonium aurintricarboxylate | AKOS015902947 | 5,5'-((3-carboxy-4-oxocyclohexa-2,5-dienylidene)met

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Aurintricarboxylic acid ammonium salt, powder | MFCD00040925 | Aluminon | Aluminon, JIS special grade | Aurintricarboxylic acid ammonium salt, ACS reagent | Ammonium aurintricarboxylate | AKOS015902947 | 5, 5'-((3-carboxy-4-oxocyclohexa-2, 5-dienylidene)met

Especificaciones y pureza

AR

Mecanismos bioquímicos y fisiológicos

Aurintricarboxylic acid readily polymerizes in aqueous solution, forming a stable free radical that inhibits protein-nucleic acid interactions. It is a potent inhibitor of ribonuclease and topoisomerase II by preventing the binding of the nucleic acid to

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Grado

AR

Nombres e identificadores

• Pubchem Sid: 488198511
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198511
• Sonrisas canónicas: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N.N.N
• IUPAC Name: azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
• InChIKey: AIPNSHNRCQOTRI-UHFFFAOYSA-N
• INCHI: 1S/C22H14O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);3*1H3
• Isómeros SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N.N.N
• WGK Alemania: 2
• RTECS: GU4800000
• Peso molecular: 473.43
• Beilstein: 3900820
• Reaxy-Rn: 3900820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3900820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Salicylic acids Monocyclic monoterpenoids Aromatic monoterpenoids Tricarboxylic acids and derivatives Benzoic acids P-quinomethanes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acids Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Hydroxybenzoic acid - Monocyclic monoterpenoid - Monoterpenoid - Aromatic monoterpenoid - Salicylic acid or derivatives - Salicylic acid - Tricarboxylic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - P-quinomethane - Quinomethane - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: ammonium salt

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

• Solubilidad: Soluble in water(800g/L).
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 220-225°C
• Peso molecular: 473.400 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 473.143 Da
• Monoisotopic Mass: 473.143 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 841.000
• 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: 4

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