Idebenone Impurity 2

CAT: 1299-RM-I040502-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I040502-02Size:25 mg

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CAS Number

116460-82-3

Synonyms

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

Molecular Formula

C18H28O4

Molecular Weight

308.41

Target Alternative Name

Idebenone

Product Name Synonym

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

Chemical Information

Idebenone Impurity A

CAS Number	116460-82-3
PubChem CID	154726200
IUPAC Name	2-(10-hydroxydecyl)-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Molecular Formula	C18H28O4
Molecular Weight	308.4
XLogP	4.1
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	446

SMILES

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

InChI

InChI=1S/C18H28O4/c1-14-15(16(20)13-17(22-2)18(14)21)11-9-7-5-3-4-6-8-10-12-19/h13,19H,3-12H2,1-2H3

InChIKey

HGFHDDZTYRESGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116460-82-3

CID: 154726200

Formula: C18H28O4

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	308.19875937
Monoisotopic Mass	308.19875937
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	446
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
RM-I040501-01	Idebenone Impurity 1
RM-I040507-01	Idebenone Impurity 7
RM-I040503-01	Idebenone Impurity 3
RM-I040505-01	Idebenone Impurity 5
RM-I040508-01	Idebenone Impurity 8
RM-I040504-01	Idebenone Impurity 4
RM-I040506-01	Idebenone Impurity 6
RM-I040500-01	Idebenone
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-S060226-01	Sofosbuvir Impurity 2; Sofosbuvir Impurity V

Catalog	Name
TRC-I170350-10MG	Idebenone Impurity A
AR-I01147-01	Idebenone Impurity 3
AR-I01146-01	Idebenone Impurity 2
TRC-I170370-25MG	Idebenone Impurity 5
TRC-I170360-200MG	Idebenone Impurity 4
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)
B2103-100	Idebenone