Idebenone Impurity 4

CAT: 1596-AR-I01148-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I01148-03Size:50 Units

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CAS Number

88543-34-4

Synonyms

2-hydroxy-5- (10-hydroxydecyl) -3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione

Molecular Formula

C18H28O5

Molecular Weight

324.42

API Name

Idebenone

Chemical Information

CID 138111762

CAS Number	88543-34-4
PubChem CID	138111762
IUPAC Name	2-hydroxy-5-(10-hydroxydecyl)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Molecular Formula	C18H28O5
Molecular Weight	324.4
XLogP	4
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	23
Formal Charge	0
Complexity	488

SMILES

CC1=C(C(=O)C(=C(C1=O)O)OC)CCCCCCCCCCO

InChI

InChI=1S/C18H28O5/c1-13-14(16(21)18(23-2)17(22)15(13)20)11-9-7-5-3-4-6-8-10-12-19/h19,22H,3-12H2,1-2H3

InChIKey

JRBMOXLLQGVEIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88543-34-4

CID: 138111762

Formula: C18H28O5

MW: 324.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	324.19367399
Monoisotopic Mass	324.19367399
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	488
Isotope Atom Count	0
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-I01147-01	Idebenone Impurity 3
AR-I01146-01	Idebenone Impurity 2
AR-I01149-01	Idebenone Impurity 5
AR-I03217-01	Idebenone Impurity 8
AR-I03216-01	Idebenone Impurity 7
AR-I03220-01	Idebenone Impurity 9
AR-I03219-01	Idebenone Impurity 6 (Mixture of Isomers)
AR-I01135-01	Idebenone
AR-I01136-01	Idebenone-d6
AR-I01144-01	Idebenone Sulfate