Tenidap sodiumProduct ingredient for Tenidap

Name
Tenidap sodium
Drug Entry
Tenidap
Accession Number
DBSALT002922
Structure
Synonyms
Tenidap sodium
UNII
DCV1328NH2
CAS Number
119784-94-0
Weight
Average: 342.73
Monoisotopic: 341.9841853
Chemical Formula
C14H8ClN2NaO3S
InChI Key
VCSAHSDZAKGXAT-AFEZEDKISA-M
InChI
InChI=1S/C14H9ClN2O3S.Na/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10;/h1-6,18H,(H2,16,20);/q;+1/p-1/b12-11-;
IUPAC Name
sodium [(3Z)-1-carbamoyl-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-ylidene](thiophen-2-yl)methanolate
SMILES
[Na+].NC(=O)N1C(=O)\C(=C(/[O-])C2=CC=CS2)C2=CC(Cl)=CC=C12
ChemSpider
16737139
ChEMBL
CHEMBL2104833
Predicted Properties
PropertyValueSource
Water Solubility0.0104 mg/mLALOGPS
logP2.95ALOGPS
logP2.32Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)4.83Chemaxon
pKa (Strongest Basic)-0.69Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area86.46 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity90.33 m3·mol-1Chemaxon
Polarizability29.92 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon