Thioridazine-d3 Hydrochloride - ≥99% , CAS No.1189928-36-6

CAS: 1189928-36-6 Cat. No.: T1301306 Peso molecular: 410.1

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: [2H]C([2H])([2H])N1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.Cl
• IUPAC Name: 2-methylsulfanyl-10-[2-[1-(trideuteriomethyl)piperidin-2-yl]ethyl]phenothiazine;hydrochloride
• InChIKey: NZFNXWQNBYZDAQ-NIIDSAIPSA-N
• INCHI: 1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H/i1D3
• Peso molecular: 410.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers Thiophenol ethers Alkylarylthioethers Piperidines 1,4-thiazines Trialkylamines Sulfenyl compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Thiophenol ether - Alkylarylthioether - Piperidine - Para-thiazine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Sulfenyl compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine 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: 410.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 409.149 Da
• Monoisotopic Mass: 409.149 Da
• Topological Polar Surface Area: 57.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 432.000
• 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: 2

XLogP3