Sarizotan hydrochloride , Dopamine D4 receptor agonist, CAS No.195068-07-6, Dopamine D4 receptor agonist

CAS: 195068-07-6 Cat. No.: S671027 Peso molecular: 384.9 PubChem CID: 6918387

Synonyms

Sarizotan hydrochloride | (R)-(-)-2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chroman hydrochloride | UNII-5P71E6YO9H | EMD-128130 | (R)-(-)-2-(5-(4-fluorophenyl)-3-pyridylmethylaminomethyl)chromane hydrochloride | EMD 128130 | [(2R)-3,4-dihydro-2H-c

Storage

Room temperature

Specifications

Sinónimos

Sarizotan hydrochloride | (R)-(-)-2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chroman hydrochloride | UNII-5P71E6YO9H | EMD-128130 | (R)-(-)-2-(5-(4-fluorophenyl)-3-pyridylmethylaminomethyl)chromane hydrochloride | EMD 128130 | [(2R)-3, 4-dihydro-2H-c

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

AGONIST

Mecanismo de acción

Dopamine D4 receptor agonist

Nombres e identificadores

• Sonrisas canónicas: C1CC2=CC=CC=C2OC1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F.Cl
• IUPAC Name: 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine;hydrochloride
• InChIKey: QDLVYMYXOLGZOD-ZMBIFBSDSA-N
• INCHI: 1S/C22H21FN2O.ClH/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21;/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2;1H/t21-;/m1./s1
• Isómeros SMILES: C1CC2=CC=CC=C2O[C@H]1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F.Cl
• PubChem CID: 6918387
• Peso molecular: 384.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: 1-benzopyrans Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - Benzopyran - Chromane - 1-benzopyran - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

• Peso molecular: 384.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 384.14 Da
• Monoisotopic Mass: 384.14 Da
• Topological Polar Surface Area: 34.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 426.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

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