Tesofensine tartrateProduct ingredient for Tesofensine
- Name
- Tesofensine tartrate
- Drug Entry
- Tesofensine
- Accession Number
- DBSALT001992
- Structure
Structure for Tesofensine tartrate (DBSALT001992)
- Synonyms
- Not Available
- UNII
- 3H98FB5747
- CAS Number
- Not Available
- Weight
- Average: 478.36
Monoisotopic: 477.1321077 - Chemical Formula
- C21H29Cl2NO7
- InChI Key
- RNHGKRXUMVFCTA-DRIRFIHHSA-N
- InChI
- InChI=1S/C17H23Cl2NO.C4H6O6/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11;5-1(3(7)8)2(6)4(9)10/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,13+,14+,17+;1-,2-/m01/s1
- IUPAC Name
- (1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane; (2R,3R)-2,3-dihydroxybutanedioic acid
- SMILES
- O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC=C(Cl)C(Cl)=C1)N2C
- External Links
- ChemSpider
- 32702119
- Predicted Properties
Property Value Source Water Solubility 0.000882 mg/mL ALOGPS logP 4.95 ALOGPS logP 4.16 Chemaxon logS -5.6 ALOGPS pKa (Strongest Basic) 9.67 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 7 Chemaxon Refractivity 89.07 m3·mol-1 Chemaxon Polarizability 35.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon