(RS)-3,4-DCPG - ≥98% , CAS No.176796-64-8

CAS: 176796-64-8 Cat. No.: R287507 Fórmula: C₁₀H₉NO₆ Peso molecular: 239.18

GRADE & PURITY ≥98%

Synonyms

SCHEMBL12648583 | (RS)-3,4-DCPG | J-011231 | HMS3267F06 | HMS3412K22 | (RS)-3,4-DICARBOXYPHENYLGLYCINE | 1,2-Benzenedicarboxylic acid, 4-(aminocarboxymethyl)- | SR-01000597399 | SR-01000597399-2 | AKOS024456570 | 3,4-DCPG | HMS3676K22 | 4-[amino(carboxy)m

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL12648583 | (RS)-3,4-DCPG | J-011231 | HMS3267F06 | HMS3412K22 | (RS)-3,4-DICARBOXYPHENYLGLYCINE | 1,2-Benzenedicarboxylic acid, 4-(aminocarboxymethyl)- | SR-01000597399 | SR-01000597399-2 | AKOS024456570 | 3,4-DCPG | HMS3676K22 | 4-[amino(carboxy)m

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Systemically active anticonvulsant that is 30-100-fold more potentin vivothan the separate enantiomers (S)-3,4-DCPG or (R)-3,4,-DCPG.S-enantiomerandR-enantiomeralso available.

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Tipo de acción

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)C(=O)O

IUPAC Name

4-[amino(carboxy)methyl]phthalic acid

InChIKey

IJVMOGKBEVRBPP-UHFFFAOYSA-N

INCHI

1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)

Isómeros SMILES

C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)C(=O)O

Peso molecular

239.18

Reaxy-Rn

8421991

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8421991&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Benzoic acids Benzoyl derivatives Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

• Solubilidad: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 50
• Peso molecular: 239.180 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 239.043 Da
• Monoisotopic Mass: 239.043 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 342.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 176796-64-8, the molecular formula is C10H9NO6, and the molecular weight is 239.18 g/mol. InChIKey IJVMOGKBEVRBPP-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.