Dimiracetam - Moligand™,≥97% , CAS No.126100-97-8

CAS: 126100-97-8 Cat. No.: D694129 Molecular Weight: 140.14 PubChem CID: 65955

GRADE & PURITY Moligand™, ≥97%

Synonyms

Dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-dione | NT-11624 | NT11624 | ISF-4185 | ISF4185 | BND-11624 | BND11624

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Dimiracetam (NT-11624) is an anti neuropathic compound that can inhibit allergies and neurological changes, and can be used to study cognitive impairment, depression, and neuropathic pain.

Specifications

Synonyms

Dihydro-1H-pyrrolo[1, 2-a]imidazole-2, 5(3H, 6H)-dione | NT-11624 | NT11624 | ISF-4185 | ISF4185 | BND-11624 | BND11624

Specifications & Purity

Moligand™, ≥97%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥97%

Product Properties

• ALogP: -0.9

Names and Identifiers

• Canonical Smiles: C1CC(=O)N2C1NC(=O)C2
• IUPAC Name: 3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
• InChIKey: XTXXOHPHLNROBN-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2/c9-5-3-8-4(7-5)1-2-6(8)10/h4H,1-3H2,(H,7,9)
• Isomeric SMILES: C1CC(=O)N2C1NC(=O)C2
• PubChem CID: 65955
• Molecular Weight: 140.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones N-alkylpyrrolidines Imidazolidinones Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Imidazolidinone - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Imidazolidine - Pyrrolidine - Tertiary carboxylic acid amide - Lactam - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 140.140 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• 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