Metabolite Tapentadol sulfonate
- Name
- Tapentadol sulfonate
- Description
- Not Available
- Structure
Structure for Tapentadol sulfonate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 285.4
Monoisotopic: 285.139864779 - Chemical Formula
- C14H23NO3S
- InChI Key
- ZLSUFMAXTMPZFG-SMDDNHRTSA-N
- InChI
- InChI=1S/C14H23NO3S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)/t11-,14+/m0/s1
- IUPAC Name
- 3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]benzene-1-sulfonic acid
- SMILES
- CC[C@H]([C@@H](C)CN(C)C)C1=CC(=CC=C1)S(O)(=O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.45 Chemaxon pKa (Strongest Acidic) -1.4 Chemaxon pKa (Strongest Basic) 9.81 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 57.61 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 78.2 m3·mol-1 Chemaxon Polarizability 31.06 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon