Sodium Demethylcantharidate - 10mM in Water , CAS No.13114-29-9

CAS: 13114-29-9 Cat. No.: S421210 Fórmula: C₈H₉NaO₅ Peso molecular: 208.14 PubChem CID: 8519

CALIDAD & PUREZA 10mM in Water

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Demethylcantharidin (norcantharidin) is a synthetic analogue of cantharidin and has potent antitumor activity.

Especificaciones

Sinónimos

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

Especificaciones y pureza

10mM in Water

Mecanismos bioquímicos y fisiológicos

Demethylcantharidin (norcantharidin) is a synthetic analogue of cantharidin and has potent antitumor activity.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Pubchem Sid

528770412

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770412

Sonrisas canónicas

C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

InChIKey

XRHVZWWRFMCBAZ-UHFFFAOYSA-L

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

Isómeros SMILES

C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

PubChem CID

8519

Peso molecular

208.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: ＜1
• Agua (mg/ml) Solubilidad máxima: 41
• Agua (mM) Solubilidad máxima: 196.9828
• Peso molecular: 230.130 g/mol
• 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

XLogP3