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Idebenone Sulfate

CAT: 1596-AR-I01144-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I01144-02Size:25 Units
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CAS Number
319906-76-8
Synonyms
10- (4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl) decylhydrogensulfate; 2,3-Dimethoxy-5-methyl-6-[10- (sulfooxy) decyl]-2,5-cyclohexadiene-1,4-dione Potassium Salt
Molecular Formula
C19H30O8S
Molecular Weight
418.51
API Name
Idebenone

Chemical Information

CID 11327556
CAS Number319906-76-8
PubChem CID11327556
IUPAC Name10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl hydrogen sulfate
Molecular FormulaC19H30O8S
Molecular Weight418.5
XLogP3.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity713
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCOS(=O)(=O)O
InChI
InChI=1S/C19H30O8S/c1-14-15(17(21)19(26-3)18(25-2)16(14)20)12-10-8-6-4-5-7-9-11-13-27-28(22,23)24/h4-13H2,1-3H3,(H,22,23,24)
InChIKey
DTQUGHKSJDPRPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 11327556
CAS: 319906-76-8
CID: 11327556
Formula: C19H30O8S
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass418.16613908
Monoisotopic Mass418.16613908
Topological Polar Surface Area125 Ų
Heavy Atom Count28
Formal Charge0
Complexity713
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

Related Products

CatalogName
AR-I01135-01Idebenone
AR-I01136-01Idebenone-d6
AR-I01147-01Idebenone Impurity 3
AR-I01146-01Idebenone Impurity 2
AR-I01143-01Idebenone-D-Glucuronide
AR-I01149-01Idebenone Impurity 5
AR-I01148-01Idebenone Impurity 4
AR-I03217-01Idebenone Impurity 8
AR-I03216-01Idebenone Impurity 7
AR-I03220-01Idebenone Impurity 9

Alternative Products

CatalogName
sc-488059Idebenone Sulfate Potassium Salt
164474Idebenone Sulfate-13C, d3 Potassium Salt
TRC-I170082-10MGIdebenone Sulfate-13C,d3 Potassium Salt
TRC-D451523-100MGDihydro Idebenone 4-O-Sulfate Potassium Salt
446964Dihydro Idebenone 4-Sulfate 1-Glucuronide Dipotassium Salt
446960Dihydro Idebenone (3-13CD3) -4-O-Sulfate Potassium Salt
452010-01Hydro Idebenone 10’-Carboxylate 4-O-Sulfate Dipotassium Salt
452009-01Hydro Idebenone 10’-Carboxylate 1-O-Sulfate Dipotassium Salt
TRC-D451524-25MGDihydro Idebenone (3-13CD3)-4-O-Sulfate Potassium Salt
D451514Dihydro Idebenone-(13CD3) 4-Sulfate 1-Glucuronide Dipotassium Salt

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