(Rac)-ABT-202 dihydrochloride - ≥95% , CAS No.1258641-38-1

CAS: 1258641-38-1 Cat. No.: A651196 Peso molecular: 236.14 Número EC: 871-413-9 PubChem CID: 50988405

GRADE & PURITY ≥95%

Synonyms

1-pyridin-3-ylpyrrolidin-3-amine;dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-aminedihydrochloride | HY-124540B | Z1263714134 | EN300-69225 | (Rac)-ABT-202 (dihydrochloride) | ABT-202 dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-amine dihydrochloride

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

(Rac)-ABT-202 dihydrochloride is a racemate of ABT-202. ABT-202 is an agonist of nicotinic acetylcholine receptors (nAChRs) and can be used as an analgesic.

Form:Solid

Specifications

Sinónimos

1-pyridin-3-ylpyrrolidin-3-amine;dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-aminedihydrochloride | HY-124540B | Z1263714134 | EN300-69225 | (Rac)-ABT-202 (dihydrochloride) | ABT-202 dihydrochloride | 1-(pyridin-3-yl)pyrrolidin-3-amine dihydrochloride

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

(Rac)-ABT-202 dihydrochloride is a racemate of ABT-202. ABT-202 is an agonist of nicotinic acetylcholine receptors (nAChRs) and can be used as an analgesic.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CC1N)C2=CN=CC=C2.Cl.Cl
• IUPAC Name: 1-pyridin-3-ylpyrrolidin-3-amine;dihydrochloride
• InChIKey: UPJISLUDXYKVQF-UHFFFAOYSA-N
• INCHI: 1S/C9H13N3.2ClH/c10-8-3-5-12(7-8)9-2-1-4-11-6-9;;/h1-2,4,6,8H,3,5,7,10H2;2*1H
• Isómeros SMILES: C1CN(CC1N)C2=CN=CC=C2.Cl.Cl
• PubChem CID: 50988405
• Peso molecular: 236.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Pyrrolidines Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Pyridine - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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: DMSO : 33.33 mg/mL (141.15 mM; Need ultrasonic)
• Peso molecular: 236.140 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.064 Da
• Monoisotopic Mass: 235.064 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 149.000
• 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: 3

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