TL;DR: Sumatriptan Succinate (CAS 103628-48-4) is a chemical compound with molecular formula C18H27N3O6S and molecular weight 413.16205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butanedioic acid;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Also Known As: SUMATRIPTAN SUCCINATE, Imigran, Imitrex, Micralgin, Migratan
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H27N3O6S |
| Molecular Weight | 413.16205 g/mol |
| XLogP | 1.26 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.16205 Da |
| Heavy Atoms | 28 |
| Complexity | 498.0 |
| SMILES | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O |
| InChIKey | PORMUFZNYQJOEI-UHFFFAOYSA-N |
The XLogP value of 1.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sumatriptan Succinate. The TPSA of 148.0 Ų indicates high polarity, suggesting Sumatriptan Succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sumatriptan Succinate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sumatriptan Succinate is 103628-48-4.
The molecular formula of Sumatriptan Succinate is C18H27N3O6S.
The molecular weight of Sumatriptan Succinate is 413.16205 g/mol.
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