Tilidine phosphateProduct ingredient for Tilidine
- Name
- Tilidine phosphate
- Drug Entry
- Tilidine
- Accession Number
- DBSALT003193
- Structure
Structure for Tilidine phosphate (DBSALT003193)
- Synonyms
- Not Available
- UNII
- PJ7Z0WL915
- CAS Number
- 157163-65-0
- Weight
- Average: 371.37
Monoisotopic: 371.149774559 - Chemical Formula
- C17H26NO6P
- InChI Key
- UYYDHBMJHNMKRC-KPVRICSOSA-N
- InChI
- InChI=1S/C17H23NO2.H3O4P/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;1-5(2,3)4/h5-8,10-12,15H,4,9,13H2,1-3H3;(H3,1,2,3,4)/t15-,17+;/m0./s1
- IUPAC Name
- ethyl (1R,2S)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate; phosphoric acid
- SMILES
- OP(O)(O)=O.CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)C1=CC=CC=C1
- External Links
- ChemSpider
- 32700724
- Predicted Properties
Property Value Source Water Solubility 0.181 mg/mL ALOGPS logP 3.16 ALOGPS logP 3.35 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) 8.6 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 82.16 m3·mol-1 Chemaxon Polarizability 30.92 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