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Edaravone

CAT: 0926-FE22642-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FE22642-02Size:1 Kg
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CAS Number
89-25-8
Synonyms
2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one;1-Phenyl-3-methyl-1H-4,5-dihydropyrazol-5-one; Methylphenylpyrazolone
MDL Number
MFCD00003138
Smiles
CC1=NN (C (=O) C1) C2=CC=CC=C2
Molecular Formula
C10H10N2O
Molecular Weight
174.2 g/mol
Controlled
No

Chemical Information

Mci-186

Edaravone is a pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively. It has a role as an antioxidant and a radical scavenger.

CAS Number89-25-8
PubChem CID4021
IUPAC Name5-methyl-2-phenyl-4H-pyrazol-3-one
Molecular FormulaC10H10N2O
Molecular Weight174.20
XLogP1.3
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity241
SMILES
CC1=NN(C(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
QELUYTUMUWHWMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mci-186
CAS: 89-25-8
CID: 4021
Formula: C10H10N2O
MW: 174.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass174.079312947
Monoisotopic Mass174.079312947
Topological Polar Surface Area32.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A5059-5000Edaravone
CS-Y-00158Edaravone-d5
RM-E042203-01Edaravone Dimer
TRC-E335035-10MGEdaravone Trimer
HY-B0099R-01Edaravone (Standard)
A11725-500Edaravone 500mg
AR-E09311-01Edaravone Glucuronide

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