Rilmenidine hemifumarate - ≥98% , CAS No.207572-68-7

CAS: 207572-68-7 Cat. No.: R288402 Peso molecular: 238.29 PubChem CID: 45073450

GRADE & PURITY ≥98%

Synonyms

BR162477 | Hemifumarato de NSC 664312; Hemifumarato de oxaminozolina; Hemifumarato de rilmenideno; Hemifumarato de S 3341 | Ácido (E)-but-2-enedioico; N-(diciclopropilmetil)-4,5-dihidro-1,3-oxazol-2-amina | Rilmenidina (hemifumarato) | N-(diciclopropilmet

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

BR162477 | Hemifumarato de NSC 664312; Hemifumarato de oxaminozolina; Hemifumarato de rilmenideno; Hemifumarato de S 3341 | Ácido (E)-but-2-enedioico; N-(diciclopropilmetil)-4, 5-dihidro-1, 3-oxazol-2-amina | Rilmenidina (hemifumarato) | N-(diciclopropilmet

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ligando selectivo del sitio de unión de la I1-imidazolina y agonista del receptor adrenérgico alfa2. Posee mayor selectividad I1vsα2 que el compuesto prototípico, la clonidina. También se cree que potencia la autofagia; se ha demostrado que aumenta los ni

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC1C(C2CC2)NC3=NCCO3.C1CC1C(C2CC2)NC3=NCCO3.C(=CC(=O)O)C(=O)O
• IUPAC Name: (E)-but-2-enedioic acid;N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
• InChIKey: LZFATBMLSYHRTC-WXXKFALUSA-N
• INCHI: 1S/2C10H16N2O.C4H4O4/c2*1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;5-3(6)1-2-4(7)8/h2*7-9H,1-6H2,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;;2-1+
• Isómeros SMILES: C1CC1C(C2CC2)NC3=NCCO3.C1CC1C(C2CC2)NC3=NCCO3.C(=C/C(=O)O)\C(=O)O
• WGK Alemania: 3
• RTECS: RP7207400
• PubChem CID: 45073450
• Peso molecular: 238.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Oxazolines Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Not available
• Substituents: Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acid - Fatty acyl - Oxazoline - Isourea - Carboxylic acid - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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:DMSO, Max Conc. mg/mL: 5.96, Max Conc. mM: 25; Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 25; Solvent:water, Max Conc. mg/mL: 5.96, Max Conc. mM: 25
• Sensibilidad: Moisture sensitive
• Peso molecular: 476.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 476.263 Da
• Monoisotopic Mass: 476.263 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

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