Methsuximide-d5 - ≥98 atom% D,≥98% , CAS No.1189980-63-9

CAS: 1189980-63-9 Cat. No.: M345476 Formula: C₁₂H₈D₅NO₂ Molecular Weight: 208.27

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Methsuximide-d5 | AKOS030253176 | DTXSID20676024 | 1,3-Dimethyl-3-(phenyl-d5)-2,5-pyrrolidinedione | 1,3-dimethyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione | HY-132399S | ES-2636 | 1,3-Dimethyl-3-(~2~H_5_)phenylpyrrolidine-2,5-dione | 1,3-dim

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Application：

A labelled calcium channel succinimide antiepileptic drug. Anticonvulsant.

Specifications

Synonyms

Methsuximide-d5 | AKOS030253176 | DTXSID20676024 | 1,3-Dimethyl-3-(phenyl-d5)-2,5-pyrrolidinedione | 1,3-dimethyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione | HY-132399S | ES-2636 | 1,3-Dimethyl-3-(~2~H_5_)phenylpyrrolidine-2,5-dione | 1,3-dim

Specifications & Purity

≥98 atom% D,≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98 atom% D,≥98%

Names and Identifiers

• Canonical Smiles: CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2
• IUPAC Name: 1,3-dimethyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione
• InChIKey: AJXPJJZHWIXJCJ-DKFMXDSJSA-N
• INCHI: 1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3/i3D,4D,5D,6D,7D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2(CC(=O)N(C2=O)C)C)[2H])[2H]
• Alternate CAS: 77-41-8
• Molecular Weight: 208.27
• Reaxy-Rn: 168315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=168315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Benzene and substituted derivatives Pyrroles Dicarboximides Tertiary amines Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyrrolidine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Tertiary amine - Lactam - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon 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: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• Molecular Weight: 208.270 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 208.126 Da
• Monoisotopic Mass: 208.126 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 5
• 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

Frequently Asked Questions

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1189980-63-9, the molecular formula is C12H8D5NO2, and the molecular weight is 208.27 g/mol. InChIKey AJXPJJZHWIXJCJ-DKFMXDSJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.