Tesofensine CitrateProduct ingredient for Tesofensine
- Name
- Tesofensine Citrate
- Drug Entry
- Tesofensine
- Accession Number
- DBSALT001991
- Structure
Structure for Tesofensine Citrate (DBSALT001991)
- Synonyms
- Not Available
- UNII
- 3R9T98ZB7U
- CAS Number
- 861205-83-6
- Weight
- Average: 520.4
Monoisotopic: 519.1426724 - Chemical Formula
- C23H31Cl2NO8
- InChI Key
- ZIVJUFNVDKADJT-BEDQTAKTSA-N
- InChI
- InChI=1S/C17H23Cl2NO.C6H8O7/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t12-,13+,14+,17+;/m0./s1
- IUPAC Name
- (1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane; 2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- OC(=O)CC(O)(CC(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
- 9595923
- 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 9 Chemaxon Refractivity 89.07 m3·mol-1 Chemaxon Polarizability 35.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon