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Sodium Dichloroacetate

CAT: 0572-TRC-S080835-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S080835-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2156-56-1
Synonyms
CPC 211; Ceresine; DCA; Dichloroacetic Acid Sodium Salt; Sodium Dichloroacetate
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[Na+].[O-]C(=O)C(Cl)Cl
Molecular Formula
C2HCl2NaO2
Molecular Weight
150.92
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sodium Dichloroacetate

Sodium Dichloroacetate is the sodium salt of dichloroacetic acid with potential antineoplastic activity. Dichloroacetate ion inhibits pyruvate dehydrogenase kinase, resulting in the inhibition of glycolysis and a decrease in lactate production. This agent may stimulate apoptosis in cancer cells by restoring normal mitochondrial-induced apoptotic signaling.

CAS Number2156-56-1
PubChem CID517326
IUPAC Namesodium 2,2-dichloroacetate
Molecular FormulaC2HCl2NaO2
Molecular Weight150.92
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity64
SMILES
C(C(=O)[O-])(Cl)Cl.[Na+]
InChI
InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
InChIKey
LUPNKHXLFSSUGS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Dichloroacetate
CAS: 2156-56-1
CID: 517326
Formula: C2HCl2NaO2
MW: 150.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.92
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass149.9251289
Monoisotopic Mass149.9251289
Topological Polar Surface Area40.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity64.7
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

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