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

CAS: 1228765-67-0 Cat. No.: E757791 분자식: C₁₀D₅H₅N₂O 분자량: 179.23

등급 & 순도 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

개요

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 .

사양

동의어

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

사양 및 순도

Moligand™, ≥98 atom% D,≥98%(CP)

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥98 atom% D,≥98%(CP)

이름과 식별자

Pubchem Sid

528769939

정식 스마일

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

이성체 SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])N2C(=O)CC(=N2)C)[2H])[2H]

대체 CAS

89-25-8（unlabelled）

분자량

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
    • 분류 Azolines
      • Subclass Pyrazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)