| CAS ID: | 6104-58-1 |
| Molecular Formula: | C47H48N3NaO7S2 |
| Molecular Weight: | 854 g/mol |
| Monoisotopic Mass: | 853.283 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1 | See All |
| InChI Key: | RWVGQQGBQSJDQV-UHFFFAOYSA-M | |
| Smiles: | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+] | See All |
| Molfile: | Download |
| Target ID | Name | Interaction |
|---|---|---|
| T0127 | P2X purinoceptor 7 | antagonist |
Reference Record 1
| PubChem: | 6324599 |
| ChEMBL: |