Atomoxetine Hydrochloride (Tomoxetine hydrochloride) , CAS No.82857-40-7

CAS: 82857-40-7 Cat. No.: A276104 Peso molecular: 291.82

Synonyms

A840467 | AKOS027327301 | DTXSID701338057 | (Rac)-Tomoxetine (hydrochloride); (Rac)-LY 139603 | A-(2-methylphenoxy)-benzenepropanamine inverted exclamation mark currency HCl | SB38907 | SCHEMBL649168 | n-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hcl |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Sinónimos

A840467 | AKOS027327301 | DTXSID701338057 | (Rac)-Tomoxetine (hydrochloride); (Rac)-LY 139603 | A-(2-methylphenoxy)-benzenepropanamine inverted exclamation mark currency HCl | SB38907 | SCHEMBL649168 | n-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hcl |

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl
• IUPAC Name: N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
• InChIKey: LUCXVPAZUDVVBT-UHFFFAOYSA-N
• INCHI: 1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H
• Isómeros SMILES: CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl
• Peso molecular: 291.82
• Reaxy-Rn: 6691924
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6691924&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Toluenes Aralkylamines Alkyl aryl ethers Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Aralkylamine - Monocyclic benzene moiety - Secondary aliphatic amine - Ether - Secondary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: 291.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 291.139 Da
• Monoisotopic Mass: 291.139 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 237.000
• 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

XLogP3