Primidone-d5 - ≥98 atom% D,≥98% , CAS No.73738-06-4

CAS: 73738-06-4 Cat. No.: P334356 Fórmula: C₁₂H₉D₅N₂O₂ Peso molecular: 223.28 Número CE: 111-201-9

GRAU & PUREZA ≥98 atom% D,≥98%

Synonyms

5-(Ethyl-d5)dihydro-5-phenyl-4,6(1H,5H)-pyrimidinedione | AKOS030242911 | HY-B0339S | 5-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-1,3-diazinane-4,6-dione | Primidone-d5 | DTXSID30486732 | Liskantin-d5 | 5-[(1,1,2,2,2-?H?)ethyl]-5-phenyl-1,3-diazinane-4,6-di

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Primidone-d5 is an anticonvulsant.

Especificações

Sinónimos

5-(Ethyl-d5)dihydro-5-phenyl-4,6(1H,5H)-pyrimidinedione | AKOS030242911 | HY-B0339S | 5-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-1,3-diazinane-4,6-dione | Primidone-d5 | DTXSID30486732 | Liskantin-d5 | 5-[(1,1,2,2,2-?H?)ethyl]-5-phenyl-1,3-diazinane-4,6-di

Especificações e pureza

≥98 atom% D,≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98 atom% D,≥98%

Nomes e identificadores

Pubchem Sid

528772023

Sorrisos canónicos

CCC1(C(=O)NCNC1=O)C2=CC=CC=C2

IUPAC Name

5-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-1,3-diazinane-4,6-dione

InChIKey

DQMZLTXERSFNPB-ZBJDZAJPSA-N

INCHI

1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)/i1D3,2D2

SMILES isoméricas

[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NCNC1=O)C2=CC=CC=C2

Peso molecular

223.28

Reaxy-Rn

218034

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=218034&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Diazinanes
• Alternative Parents: Benzene and substituted derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.
• 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

• Solubilidade: Soluble in Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Ponto de fusão (°C): 275-279°C
• Peso molecular: 223.280 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.137 Da
• Monoisotopic Mass: 223.137 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 279.000
• Isotope Atom Count: 5
• Defined Atom Stereocenter Count: 0
• 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