Saccharin calciumProduct ingredient for Saccharin

Name
Saccharin calcium
Drug Entry
Saccharin

Saccharin has been investigated for the treatment of Hypertension and Hyperglycemia.

Accession Number
DBSALT002238
Structure
Synonyms
Not Available
UNII
5101OP7P2I
CAS Number
6381-91-5
Weight
Average: 530.53
Monoisotopic: 530.018922
Chemical Formula
C14H22CaN2O13S2
InChI Key
NNOYLBKZPCUCQT-UHFFFAOYSA-L
InChI
InChI=1S/2C7H5NO3S.Ca.7H2O/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;;;;;/h2*1-4H,(H,8,9);;7*1H2/q;;+2;;;;;;;/p-2
IUPAC Name
calcium bis(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-ide) heptahydrate
SMILES
O.O.O.O.O.O.O.[Ca++].O=C1[N-]S(=O)(=O)C2=CC=CC=C12.O=C1[N-]S(=O)(=O)C2=CC=CC=C12
ChemSpider
30791836
Predicted Properties
PropertyValueSource
Water Solubility0.0578 mg/mLALOGPS
logP1.19ALOGPS
logP0.45Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)1.94Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area60.44 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity41.59 m3·mol-1Chemaxon
Polarizability15.6 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon