TP-317Product ingredient for Resolvin E1
- Name
- TP-317
- Drug Entry
- Resolvin E1
Resolvin E1 (RX 10001) is under investigation in clinical trial NCT00941018 (Single and Multiple Ascending Oral Dose Study of Resolvin E1 in Healthy Volunteers).
- Accession Number
- DBSALT003469
- Structure
Structure for TP-317 (DBSALT003469)
- Synonyms
- Magnesium lysinate bis Resolvin E1 / Magnesium lysinate-bis-resolvin E1
- External IDs
- TP 317 / TP-317 / TP317
- UNII
- AH6WA47YR3
- CAS Number
- Not Available
- Weight
- Average: 1015.579
Monoisotopic: 1014.59909517 - Chemical Formula
- C52H86MgN4O14
- InChI Key
- SDQHYEFWEQOSBL-DXJCSENFSA-L
- InChI
- InChI=1S/2C20H30O5.2C6H14N2O2.Mg/c2*1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25;2*7-4-2-1-3-5(8)6(9)10;/h2*3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25);2*5H,1-4,7-8H2,(H,9,10);/q;;;;+2/p-2/b2*4-3+,9-5-,11-8+,12-6+,13-7-;;;/t2*17-,18+,19-;2*5-;/m0000./s1
- IUPAC Name
- magnesium(2+) bis((5R,6Z,8E,10E,12S,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid) bis((2S)-2,6-diaminohexanoate)
- SMILES
- [Mg++].NCCCC[C@H](N)C([O-])=O.NCCCC[C@H](N)C([O-])=O.CC[C@H](O)\C=C\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O.CC[C@H](O)\C=C\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 2.53 Chemaxon pKa (Strongest Acidic) 4.65 Chemaxon pKa (Strongest Basic) -1.1 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 97.99 Å2 Chemaxon Rotatable Bond Count 36 Chemaxon Refractivity 105.62 m3·mol-1 Chemaxon Polarizability 40.12 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon