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

CAS: 73738-06-4 Cat. No.: P334356 Summenformel: C₁₂H₉D₅N₂O₂ Molekulargewicht: 223.28 EG-Nummer: 111-201-9

QUALITÄT & REINHEIT ≥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

Übersicht

Primidone-d5 is an anticonvulsant.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

Pubchem Sid

528772023

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Diazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Schmelzpunkt (°C): 275-279°C
• Molekulargewicht: 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