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Sodium Demethylcantharidate

CAT: 0013-GTR19174668-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174668-02Size:10 mg
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Description
Sodium Demethylcantharidate
CAS Number
13114-29-9
Product Name Alternative
Inhibit, Inhibitor, Endogenous Metabolite, EndogenousMetabolite, Sodium norcantharidin, Sodium Demethylcantharidate
Field of Research
Cell Biology, Metabolism Research
Purity
≥98% (May vary between batches)
Solubility
DMSO:Insoluble; H2O:40 mg/mL (192.18 mM)
Smiles
O=C (C1C2OC (C1C ([O-]) =O) CC2) O.[Na+]
Molecular Formula
C8H9O5.Na
Molecular Weight
208.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Disodium endothal

Endothal-disodium is an organic molecular entity.

CAS Number13114-29-9
PubChem CID8519
IUPAC Namedisodium;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Molecular FormulaC8H8Na2O5
Molecular Weight230.13
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity224
SMILES
C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey
XRHVZWWRFMCBAZ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Disodium endothal
CAS: 13114-29-9
CID: 8519
Formula: C8H8Na2O5
MW: 230.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.13
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass230.01671192
Monoisotopic Mass230.01671192
Topological Polar Surface Area89.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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