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Mitoquinone Mesylate

CAT: 0572-TRC-M372215-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M372215-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
845959-50-4
Synonyms
(10-(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)triphenylphosphonium methanesulfonate; Mitoquinone Methanesulfonate; [10-(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)decyl]triphenylphosphonium Methanesulfonate
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CCC/C(CP(O)(O)=O)=C\C(N)C(O)=O
Molecular Formula
C37H44O4P+ • CH3O3S-
Molecular Weight
583.72951
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mitoquinone mesylate

Mitoquinone mesylate is an organic molecular entity. It has a role as an antioxidant.

CAS Number845959-50-4
PubChem CID11388331
IUPAC Name10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;methanesulfonate
Molecular FormulaC38H47O7PS
Molecular Weight678.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity965
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-]
InChI
InChI=1S/C37H44O4P.CH4O3S/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-5(2,3)4/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
GVZFUVXPTPGOQT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Mitoquinone mesylate
CAS: 845959-50-4
CID: 11388331
Formula: C38H47O7PS
MW: 678.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight678.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass678.27801201
Monoisotopic Mass678.27801201
Topological Polar Surface Area118 Ų
Heavy Atom Count47
Formal Charge0
Complexity965
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes