Pobilukast
(2S,3R)-3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid
| Molecular Formula | C26H34O5S |
|---|---|
| Molecular Weight | 458.6 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 120.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 458.2127 |
| Heavy Atoms | 32 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 107023-41-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)O)SCCC(=O)O |
| InChIKey | PZIFPMYXXCAOCC-JWQCQUIFSA-N |
📖 Product Overview
Pobilukast (CAS: 107023-41-6) is a chemical compound with molecular formula C26H34O5S and molecular weight 458.6 g/mol. Its IUPAC systematic name is (2S,3R)-3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid.
PZIFPMYXXCAOCC-JWQCQUIFSA-N.
SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)O)SCCC(=O)O.
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