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
- External Links
- ChemSpider
- 152931
- ChEMBL
- CHEMBL2107467
- Predicted Properties
Property Value Source Water Solubility 0.00905 mg/mL ALOGPS logP 4.65 ALOGPS logP 4.64 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 9.33 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 89.77 m3·mol-1 Chemaxon Polarizability 34.14 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon