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Sodium Demethylcantharidate

PubChem CID: 8519

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Compound Synonyms Endothal-disodium, 13114-29-9, Sodium Demethylcantharidate, 129-67-9, Sodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate, disodium, 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate, 53608-75-6, endothall, Sodium norcantharidin, Disodium endothal, DEMETHYLCANTHARIDATE DISODIUM, ENDOTHALL-SODIUM, Sodium-Demethylcantharidate, SCHEMBL1006891, DTXSID1041899, CHEBI:81916, XRHVZWWRFMCBAZ-UHFFFAOYSA-L, AKOS030633011, NS00079305, C18724, Q27155657, Sodium3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate
Topological Polar Surface Area 89.5
Hydrogen Bond Donor Count 0.0
Inchi Key XRHVZWWRFMCBAZ-UHFFFAOYSA-L
Rotatable Bond Count 0.0
Synonyms Accelerase, Alipase, Butyrase, Cotazym?, Creon, E.C. 3.1.1.3, Entolase, Ilozyme, Lipancreatin, Lipase, Pancrease?, Pancrelipase, USAN, Prolipase, RoBile, Triacylglycerol lipase, Triglyceride lipase, Zymase
Heavy Atom Count 15.0
Compound Name Sodium Demethylcantharidate
Description Food additive and processing agent. Production by controlled fermentation of Aspergillus niger. Found in milk and milk products. It is used in food processing for flavour improvement, e.g. in cheese Pancrelipase is a form of enzyme therapy for the treatment of various digestive disorders, primarily exocrine pancreatic insufficiency. It is a mixture of three digestive enzymes, amylase, trypsin, and lipase, which are normally produced by the pancreas. Pancrelipase is a form of pancreatin having a elevated content of lipase.
Exact Mass 230.017
Formal Charge 0.0
Monoisotopic Mass 230.017
Isotope Atom Count 0.0
Molecular Complexity 224.0
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 230.13
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 3.0
Defined Atom Stereocenter Count 0.0
Iupac Name disodium, 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
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
Smiles C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Defined Bond Stereocenter Count 0.0
Molecular Formula C8H8Na2O5

  • 1. Outgoing r'ship FOUND_IN to/from Armoracia Rusticana (Plant) Rel Props:Source_db:fooddb_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Theobroma Cacao (Plant) Rel Props:Source_db:fooddb_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all