Ablukast
6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
| Molecular Formula | C28H34O8 |
|---|---|
| Molecular Weight | 498.6 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 119.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 498.22537 |
| Heavy Atoms | 36 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 96566-25-5 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=C(C=C3CCC(OC3=C2)C(=O)O)C(=O)C |
| InChIKey | FGGYJWZYDAROFF-UHFFFAOYSA-N |
📖 Product Overview
Ablukast (CAS: 96566-25-5) is a chemical compound with molecular formula C28H34O8 and molecular weight 498.6 g/mol. Its IUPAC systematic name is 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid.
FGGYJWZYDAROFF-UHFFFAOYSA-N.
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=C(C=C3CCC(OC3=C2)C(=O)O)C(=O)C.
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