Edaravone-d5

CAT: 1596-AR-E02343-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E02343-02Size:100 Units

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CAS Number

1228765-67-0

Synonyms

5-methyl-2- (phenyl-d5) -2,4-dihydro-3H-pyrazol-3-one

Molecular Formula

C10H5D5N2O

Molecular Weight

179.23

API Name

Edaravone

Chemical Information

Edaravone D5

CAS Number	1228765-67-0
PubChem CID	46215970
IUPAC Name	5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-one
Molecular Formula	C10H10N2O
Molecular Weight	179.23
XLogP	1.3
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	241

SMILES

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

InChI

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

InChIKey

QELUYTUMUWHWMC-VIQYUKPQSA-N

Chemical Structure

2D Structure

CAS: 1228765-67-0

CID: 46215970

Formula: C10H10N2O

MW: 179.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.23
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	179.110696676
Monoisotopic Mass	179.110696676
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	241
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-E09302-01	Edaravone Sulfate Triethylamine Salt-d5
AR-E01023-01	Edaravone
AR-E09311-01	Edaravone Glucuronide
AR-E09301-01	Edaravone Impurity 38
AR-E11060-01	Edaravone Impurity 4
AR-E09312-01	Edaravone Impurity 27
AR-E09293-01	Edaravone Impurity 26
AR-E09305-01	Edaravone Impurity 12
AR-E09303-01	Edaravone Impurity 8
AR-E09300-01	Edaravone Impurity 37

Catalog	Name
T11152-01	Edaravone-d5
TRC-E122872-1MG	Edaravone D5
CS-O-50961	Edaravone Glucuronide-d5
CS-O-50960	Edaravone Sulfate-D5
HY-144247S-01	Edaravone glucuronide-d5 (sodium)
CS-SN-00031	Edaravone-D5 Glucuronide Sodium Salt
A5059-5000	Edaravone