Edaravone-d5 - Moligand™, ≥98 atom% D,≥98%(CP) , CAS No.1228765-67-0

CAS: 1228765-67-0 Cat. No.: E757791 Molecular Weight: 179.23

GRADE & PURITY Moligand™, ≥98 atom% D,≥98%(CP)

Synonyms

5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-one | 5-Methyl-2-(phenyl-d5)-2,4-dihydro-3H-pyrazol-3-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Edaravone-d5 is a deuterium labeled Edaravone. Edaravone is a strong novel free radical scavenger, and inhibits MMP-9-related brain hemorrhage in rats treated with tissue plasminogen activator .

Specifications

Synonyms

5-methyl-2-(2, 3, 4, 5, 6-pentadeuteriophenyl)-4H-pyrazol-3-one | 5-Methyl-2-(phenyl-d5)-2, 4-dihydro-3H-pyrazol-3-one

Specifications & Purity

Moligand™, ≥98 atom% D, ≥98%(CP)

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.

Grade

Moligand™

Purity

≥98 atom% D, ≥98%(CP)

Names and Identifiers

• Canonical Smiles: CC1=NN(C(=O)C1)C2=CC=CC=C2
• IUPAC Name: 5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-one
• InChIKey: QELUYTUMUWHWMC-VIQYUKPQSA-N
• INCHI: 1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3/i2D,3D,4D,5D,6D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])N2C(=O)CC(=N2)C)[2H])[2H]
• Alternate CAS: 89-25-8（unlabelled）
• Molecular Weight: 179.23
• Reaxy-Rn: 609575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609575&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Pyrazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Pyrazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolones
• Alternative Parents: Benzene and substituted derivatives Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Pyrazolinone - Monocyclic benzene moiety - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone.
• 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), DMSO (Slightly), Methanol (Slightly)