Mirtazapina-d3 - ≥98 átomo% D,≥98% , CAS No.1216678-68-0

CAS: 1216678-68-0 Cat. No.: M334679 Peso molecular: 268.38

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

DTXSID90662131 | HY-B0352S | 5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene | Mirtazapine D3 | 1216678-68-0 | Remeron-d3 | Zispin-d3 | SS-4517 | F82533 | AKOS016339626 | Mirtazapine-d3 | 5-(?H?)methyl-

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

La Mirtazapina-d3 es un bloqueante α2-Adrenérgico y un análogo de la Mianserina. También es un antidepresivo.

Specifications

Sinónimos

DTXSID90662131 | HY-B0352S | 5-(trideuteriomethyl)-2, 5, 19-triazatetracyclo[13.4.0.02, 7.08, 13]nonadeca-1(15), 8, 10, 12, 16, 18-hexaene | Mirtazapine D3 | 1216678-68-0 | Remeron-d3 | Zispin-d3 | SS-4517 | F82533 | AKOS016339626 | Mirtazapine-d3 | 5-(?H?)methyl-

Especificaciones y pureza

≥98 átomo% D, ≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98 atom% D, ≥98%

Nombres e identificadores

• Pubchem Sid: 504770515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770515
• Sonrisas canónicas: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
• IUPAC Name: 5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
• InChIKey: RONZAEMNMFQXRA-FIBGUPNXSA-N
• INCHI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/i1D3
• Isómeros SMILES: [2H]C([2H])([2H])N1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
• Peso molecular: 268.38
• Reaxy-Rn: 549345
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=549345&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperazinoazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperazinoazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazinoazepines
• Alternative Parents: Benzazepines Dialkylarylamines N-methylpiperazines Azepines Aralkylamines Pyridines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Piperazino-azepine - Dialkylarylamine - Azepine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Imidolactam - Benzenoid - Piperazine - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperazinoazepines. These are compounds containing a piperazinoazepine skeleton, which consists of an azepine ring fused to a piperazine.
• 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: Soluble in Chloroform and Methanol
• Punto de fusión (°C): 105-107° C
• Peso molecular: 268.370 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 268.177 Da
• Monoisotopic Mass: 268.177 Da
• Topological Polar Surface Area: 19.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 345.000
• Isotope Atom Count: 3
• 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: 1