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Sodium Demethylcantharidate - 10mM in Water, high purity , CAS No.13114-29-9
Basic Description
Synonyms
Endothal-disodium | 13114-29-9 | Sodium Demethylcantharidate | Sodium norcantharidin | 129-67-9 | Sodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate | disodium;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate | Disodium endothal | 53608-75-6 | ENDOTHALL-SODIUM | Sodium-Demethyl
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
Demethylcantharidin (norcantharidin) is a synthetic analogue of cantharidin and has potent antitumor activity.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Demethylcantharidin (norcantharidin) is a synthetic analogue of cantharidin and has potent antitumor activity.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Dicarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Dicarboxylic acids and derivatives
Alternative Parents
Tetrahydrofurans Carboxylic acid salts Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid salt - Carboxylic acid - Dialkyl ether - Ether - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic sodium salt - Carbonyl group - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors
Pesticides
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
disodium;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
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
Smiles
C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Isomeric SMILES
C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
PubChem CID
8519
Molecular Weight
208.14
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
＜1
Water(mg / mL) Max Solubility
41
Water(mM) Max Solubility
196.9828
Molecular Weight
230.130 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
230.017 Da
Monoisotopic Mass
230.017 Da
Topological Polar Surface Area
89.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
224.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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