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

CAS: 73738-06-4 Cat. No.: P334356 Molecular Weight: 223.28 EC Number: 111-201-9

GRADE & PURITY ≥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

Overview

Primidone-d5 is an anticonvulsant.

Specifications

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

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NCNC1=O)C2=CC=CC=C2
• Molecular Weight: 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
    • Class Diazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Melt Point(°C): 275-279°C
• Molecular Weight: 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