Tilidine fumarateProduct ingredient for Tilidine
- Name
- Tilidine fumarate
- Drug Entry
- Tilidine
- Accession Number
- DBSALT003194
- Structure
Structure for Tilidine fumarate (DBSALT003194)
- Synonyms
- Not Available
- UNII
- DXT828600R
- CAS Number
- 55567-81-2
- Weight
- Average: 389.448
Monoisotopic: 389.183837593 - Chemical Formula
- C21H27NO6
- InChI Key
- PMBFJKOESQBPHB-BHDCFXIMSA-N
- InChI
- InChI=1S/C17H23NO2.C4H4O4/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;5-3(6)1-2-4(7)8/h5-8,10-12,15H,4,9,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,17+;/m0./s1
- IUPAC Name
- (2E)-but-2-enedioic acid; ethyl (1R,2S)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
- SMILES
- OC(=O)\C=C\C(O)=O.CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)C1=CC=CC=C1
- External Links
- ChemSpider
- 32699431
- 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 7 Chemaxon Refractivity 82.16 m3·mol-1 Chemaxon Polarizability 30.73 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