Piribedil dihydrochloride - ≥99% , CAS No.1451048-94-4

CAS: 1451048-94-4 Cat. No.: P276141 Peso molecular: 298.3423646 PubChem CID: 56972173

GRADE & PURITY ≥99%

Synonyms

2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidinedihydrochloride

Storage

Room temperature

Shipped In

Normal

Descripción general

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Sinónimos

2-[4-(1, 3-Benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidinedihydrochloride

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

D 2 /D 3 dopamine receptor agonist. D 3 selectivity demonstrated in vitro . Improves attentional dysfunction in combination with L-DOPA.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.Cl.Cl
• IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;dihydrochloride
• InChIKey: LTXWEVPOJXPWAD-UHFFFAOYSA-N
• INCHI: 1S/C16H18N4O2.2ClH/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;;/h1-5,10H,6-9,11-12H2;2*1H
• Isómeros SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.Cl.Cl
• PubChem CID: 56972173
• Peso molecular: 298.3423646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Benzodioxoles Dialkylarylamines N-alkylpiperazines Aralkylamines Aminopyrimidines and derivatives Benzenoids Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Benzodioxole - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Aralkylamine - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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: Soluble in water to 25 mM
• Peso molecular: 371.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 370.096 Da
• Monoisotopic Mass: 370.096 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 356.000
• 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: 3

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