Tesmilifene hydrochlorideProduct ingredient for Tesmilifene

Name
Tesmilifene hydrochloride
Drug Entry
Tesmilifene

Tesmilifene is a novel potentiator of chemotherapy which, when added to doxorubicin, achieved an unexpected and very large survival advantage over doxorubicin alone in a randomized trial in advanced breast cancer.

Accession Number
DBSALT002853
Structure
Synonyms
Tesmilifene HCl
External IDs
BMS-217380-01 / BMY-33419
UNII
1U4B477260
CAS Number
92981-78-7
Weight
Average: 319.87
Monoisotopic: 319.1702922
Chemical Formula
C19H26ClNO
InChI Key
TXLHNFOLHRXMAU-UHFFFAOYSA-N
InChI
InChI=1S/C19H25NO.ClH/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;/h5-13H,3-4,14-16H2,1-2H3;1H
IUPAC Name
[2-(4-benzylphenoxy)ethyl]diethylamine hydrochloride
SMILES
Cl.CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1
ChemSpider
152931
ChEMBL
CHEMBL2107467
Predicted Properties
PropertyValueSource
Water Solubility0.00905 mg/mLALOGPS
logP4.65ALOGPS
logP4.64Chemaxon
logS-4.5ALOGPS
pKa (Strongest Basic)9.33Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area12.47 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity89.77 m3·mol-1Chemaxon
Polarizability34.14 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon