Tomelukast
1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
| Molecular Formula | C16H22N4O3 |
|---|---|
| Molecular Weight | 318.37 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.1692 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 88107-10-2 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2 |
| InChIKey | MWYHLEQJTQJHSS-UHFFFAOYSA-N |
📖 Product Overview
Tomelukast (CAS: 88107-10-2) is a chemical compound with molecular formula C16H22N4O3 and molecular weight 318.37 g/mol. Its IUPAC systematic name is 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone.
MWYHLEQJTQJHSS-UHFFFAOYSA-N.
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2.
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