Oxonic Acid , CAS No.937-13-3

CAS: 937-13-3 Cat. No.: O667814 Formula: C₄H₃N₃O₄ Peso molecolare: 157.08 PubChem CID: 4604

Synonyms

Oxonic Acid|Oteracil|5-azaorotic acid|Allantoxanic acid|4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylic acid|Oteracil [INN]|Oxonate|1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid|4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid|1,4,5,6-tetrahydro-4,6-dioxo-s-triazine-2-carboxylic acid|Oxonsaure|oxonic-acid|dihydroxy-1,3,5-triazine-2-carboxylic acid|1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-|OXONIC ACID [MI]|OTERACIL [WHO-DD]|OTERACIL [EMA EPAR]|S-TRIAZINE-2,4-DIONE-6-CARBOXYLIC ACID|1,3,5-Triazine-2-carboxylicacid,1,4,5,6-tetrahydro-4,6-dioxo-|4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylicacid|Oteracil pound>>5-Azaorotic acid pound>>4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylic acid

Storage

Room temperature

Specifiche

Sinonimi

Oxonic Acid | Oteracil | 5-azaorotic acid | Allantoxanic acid | 4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylic acid | Oteracil [INN] | Oxonate | 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid | 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid | 1,4,5,6-tetrahydro-4,6-dioxo-s-triazine-2-carboxylic acid | Oxonsaure | o Mostra altro

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

-1

Nomi e identificatori

Sorrisi canonici

C1(=NC(=O)NC(=O)N1)C(=O)O

IUPAC Name

4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid

InChIKey

RYYCJUAHISIHTL-UHFFFAOYSA-N

INCHI

1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)

Isomeri SMILES

C1(=NC(=O)NC(=O)N1)C(=O)O

PubChem CID

4604

Peso molecolare

157.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazines
• Subclass: Triazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinones
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
• External Descriptors: monocarboxylic acid - 1,3,5-triazines

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

Obiettivi associati (umani)

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Rattus norvegicus (775804 Activities)

Explore this target

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 157.080 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 157.012 Da
• Monoisotopic Mass: 157.012 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 269.000
• 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: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 937-13-3, the molecular formula is C4H3N3O4, and the molecular weight is 157.08 g/mol. InChIKey RYYCJUAHISIHTL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.