Choline tetrathiomolybdateProduct ingredient for Tetrathiomolybdate

Name
Choline tetrathiomolybdate
Drug Entry
Tetrathiomolybdate

Tetrathiomolybdate is an oral, small-molecule, anticopper agent that is highly specific for lowering the levels of free copper in serum. COPREXA has completed pivotal clinical trials for the treatment of neurologic Wilson's disease. It is also developed for fibrotic disorders based upon the rationale that the fibrotic disease process is dependent upon the availability of free copper in the body.

Accession Number
DBSALT003343
Structure
Synonyms
bis-choline tetrathiomolybdate / Bis(choline) tetrathiomolybdate / ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, (T-4)-TETRATHIOXOMOLYBDATE(2-) (2:1) / Tiomolibdate choline
External IDs
ALXN-1840
UNII
FD57A79R4P
CAS Number
649749-10-0
Weight
Average: 432.54
Monoisotopic: 434.008768
Chemical Formula
C10H28MoN2O2S4
InChI Key
NEYVHGQOGHJAAD-UHFFFAOYSA-N
InChI
InChI=1S/2C5H14NO.Mo.4S/c2*1-6(2,3)4-5-7;;;;;/h2*7H,4-5H2,1-3H3;;;;;/q2*+1;;;;2*-1
IUPAC Name
bis((2-hydroxyethyl)trimethylazanium); (sulfanidyldisulfanylidenemolybdenio)sulfanide
SMILES
[S-][Mo]([S-])(=S)=S.C[N+](C)(C)CCO.C[N+](C)(C)CCO
ChemSpider
19906891
Wikipedia
Tiomolibdic_acid
Predicted Properties
PropertyValueSource
logP-4.7Chemaxon
pKa (Strongest Acidic)13.97Chemaxon
pKa (Strongest Basic)-3.2Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity42.19 m3·mol-1Chemaxon
Polarizability12.57 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon