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Dimethyl fumarate-d6

CAT: 0931-T11045-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T11045-01Size:5 mg
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CAS Number
66487-95-4
Target
Nrf2
Related Pathways
Immunology/Inflammation
Bioactivity
Dimethyl fumarate D6 is a deuterium labeled Dimethyl fumarate. can induces upregulation of antioxidant gene expression.
Smiles
[2H]C([2H])([2H])OC(=O)\C=C\C(=O)OC([2H])([2H])[2H]
Molecular Formula
C6H8O4
Molecular Weight
150.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dimethyl fumarate-d6
CAS Number66487-95-4
PubChem CID75203543
IUPAC Namebis(trideuteriomethyl) (E)-but-2-enedioate
Molecular FormulaC6H8O4
Molecular Weight150.16
XLogP0.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity141
SMILES
[2H]C([2H])([2H])OC(=O)/C=C/C(=O)OC([2H])([2H])[2H]
InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+/i1D3,2D3
InChIKey
LDCRTTXIJACKKU-XDMLVRQJSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl fumarate-d6
CAS: 66487-95-4
CID: 75203543
Formula: C6H8O4
MW: 150.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.16
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass150.07991921
Monoisotopic Mass150.07991921
Topological Polar Surface Area52.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity141
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-17363S-01Dimethyl fumarate-d6
RM-D130527-01Dimethyl Fumarate D6
AR-F02173-01Dimethyl-d6 Fumarate
B1931-100Dimethyl Fumarate
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