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Zafirlukast · CAS 107753-78-6 · C31H33N3O6S. UNII XZ629S5L50. Melting Point: 139; Melting Point: 139 °C; Solubility: 9.62e-04 g/L.
| CAS Registry Number | 107753-78-6 |
|---|---|
| PubChem CID | 5717 |
| Molecular formula | C31H33N3O6S |
| IUPAC name | cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate |
| UNII (FDA) | XZ629S5L50 |
| Molecular Weight | 575.7 |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 575.20900695 |
| Monoisotopic Mass | 575.20900695 |
| Topological Polar Surface Area | 124 |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Melting Point | 139 |
|---|---|
| Melting Point | 139 °C |
| Solubility | 9.62e-04 g/L |
| LogP | 5.4 |
| Reported hazard statements | H413 (92.9%) |
|---|
H413 (92.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
zafirlukast; 107753-78-6; Accolate; ICI-204219; ICI 204,219; ICI 204219; DTXSID5023746; Cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate; XZ629S5L50; ICI-204,219; 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide; DTXCID303746; CHEBI:10100; cyclopentyl 3-[2-methoxy-4-[(o-tolylsulfonyl)carbamoyl]benzyl]-1-methylindole-5-carbamate; zafirlukastum; 4-(5-cyclopentyloxycarbonylamino-2-methylindol-3-yl-methyl)-3-methoxy-N-O-tolylsulfonylbenzamide
CAS 107753-78-6; molecular formula C31H33N3O6S; molecular weight — g/mol.
zafirlukast, 107753-78-6, Accolate, ICI-204219, ICI 204,219, ICI 204219.
Hazard statements reported: H413.
Melting Point: 139; Melting Point: 139 °C; Solubility: 9.62e-04 g/L; LogP: 5.4.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.