Centanafadine , Monoamine transporter inhibitor, CAS No.924012-43-1, Monoamine transporter inhibitor

CAS: 924012-43-1 Cat. No.: C669790 Fórmula: C₁₅H₁₅N Peso molecular: 209.29 PubChem CID: 16095349

Synonyms

Centanafadine | AC7288 | UNII-D2A6T4UH9C | (1r,5s)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane | (1R,5S)-(+)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane | CENTANAFADINE [WHO-DD] | D2A6T4UH9C | CENTANAFADINE [INN] | DOV 216,419 | DTXSID201045788 | EB-102

Storage

Room temperature

Specifications

Sinónimos

Centanafadine | AC7288 | UNII-D2A6T4UH9C | (1r,5s)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane | (1R,5S)-(+)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane | CENTANAFADINE [WHO-DD] | D2A6T4UH9C | CENTANAFADINE [INN] | DOV 216,419 | DTXSID201045788 | EB-102

Condições de armazenamento de armazenamento

Room temperature

Tipo de ação

INHIBITOR

Mecanismo de ação

Monoamine transporter inhibitor

Propriedades do produto

• ALogP: 3

Nomes e identificadores

• Sorrisos canónicos: [H][C@]12C[C@]1(CNC2)C1=CC=C2C=CC=CC2=C1
• IUPAC Name: (1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
• InChIKey: HKHCSWPSUSWGLI-CABCVRRESA-N
• INCHI: 1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1
• SMILES isoméricas: C1[C@H]2[C@@]1(CNC2)C3=CC4=CC=CC=C4C=C3
• PubChem CID: 16095349
• Peso molecular: 209.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aralkylamines Piperidines Pyrrolidines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Aralkylamine - Piperidine - Pyrrolidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propriedades químicas e físicas

• Peso molecular: 209.290 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.12 Da
• Monoisotopic Mass: 209.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 287.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 1

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 924012-43-1, the molecular formula is C15H15N, and the molecular weight is 209.29 g/mol. InChIKey HKHCSWPSUSWGLI-CABCVRRESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.