Tilorone HydrochlorideProduct ingredient for Tilorone

Name
Tilorone Hydrochloride
Drug Entry
Tilorone
Accession Number
DBSALT003375
Structure
Synonyms
2,7-Bis[2-(diethylamino)ethoxy]fluoren-9-one dihydrochloride / 9H-FLUOREN-9-ONE, 2,7-BIS(2-(DIETHYLAMINO)ETHOXY)-, DIHYDROCHLORIDE / TILORONE DIHYDROCHLORIDE / TILORONE HCL
External IDs
NSC-143969
UNII
BJ507J4LKY
CAS Number
27591-69-1
Weight
Average: 483.47
Monoisotopic: 482.2102984
Chemical Formula
C25H36Cl2N2O3
InChI Key
BSVYJQAWONIOOU-UHFFFAOYSA-N
InChI
InChI=1S/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H
IUPAC Name
2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one dihydrochloride
SMILES
Cl.Cl.CCN(CC)CCOC1=CC2=C(C=C1)C1=CC=C(OCCN(CC)CC)C=C1C2=O
ChemSpider
31301
ChEBI
147356
ChEMBL
CHEMBL539581
Predicted Properties
PropertyValueSource
logP4.26Chemaxon
pKa (Strongest Basic)9.49Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area42.01 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity123.67 m3·mol-1Chemaxon
Polarizability49.85 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon