Talopram hydrochloride - ≥99%(HPLC) , CAS No.7013-41-4

CAS: 7013-41-4 Cat. No.: T287876 Peso molecular: 331.88 Número EC: 804-153-1 PubChem CID: 71176

GRADE & PURITY ≥99%(HPLC)

Synonyms

LU3-01O | 3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylpropan-1-amine;hydrochloride | 1-Isobenzofuranpropanamine, 1,3-dihydro-N,3,3-trimethyl-1-phenyl-, hydrochloride | AKOS024457456 | 1,3-Dihydro-N,3,3-trimethyl-1-pheny l-1-isobenzofuranpropanamin

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

LU3-01O | 3-(3, 3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylpropan-1-amine;hydrochloride | 1-Isobenzofuranpropanamine, 1, 3-dihydro-N, 3, 3-trimethyl-1-phenyl-, hydrochloride | AKOS024457456 | 1, 3-Dihydro-N, 3, 3-trimethyl-1-pheny l-1-isobenzofuranpropanamin

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent, selective inhibitor of the noradrenalin transporter (NET) (IC50= 2.9 nM). Exhibits selectivity for NET against SERT (5-HT transporters) and DAT (dopamine transporters). Displays a similar structure but different pharmacological profile tocitalopra

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=CC=C3)C.Cl
• IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylpropan-1-amine;hydrochloride
• InChIKey: JZXJIRQPHHWYGC-UHFFFAOYSA-N
• INCHI: 1S/C20H25NO.ClH/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16;/h4-8,10-13,21H,9,14-15H2,1-3H3;1H
• Isómeros SMILES: CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=CC=C3)C.Cl
• PubChem CID: 71176
• Peso molecular: 331.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Isocoumarans Aralkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbutylamine - Isocoumaran - Aralkylamine - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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: 16.59, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 33.19, Max Conc. mM: 100
• Peso molecular: 331.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 331.17 Da
• Monoisotopic Mass: 331.17 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 361.000
• 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: 2

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