| CAS ID: | 158966-92-8 |
| Molecular Formula: | C35H36ClNO3S |
| Molecular Weight: | 586.2 g/mol |
| Monoisotopic Mass: | 585.2104 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | MONTELUKAST SODIUM | SINGULAIR | MONTELUKAST | MK-476 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1 | See All |
| InChI Key: | UCHDWCPVSPXUMX-TZIWLTJVSA-N | |
| Smiles: | CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3 | See All |
| Molfile: | Download |
| Target ID | Name | Interaction |
|---|---|---|
| T0990 | Cysteinyl leukotrienes | antagonist |
Reference Record 1