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Nequinate · CAS 13997-19-8 · C22H23NO4. UNII 91ZE013933. Melting Point: 287 - 288 °C.
| CAS Registry Number | 13997-19-8 |
|---|---|
| PubChem CID | 26383 |
| Molecular formula | C22H23NO4 |
| IUPAC name | methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate |
| UNII (FDA) | 91ZE013933 |
| Molecular Weight | 365.4 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 365.16270821 |
| Monoisotopic Mass | 365.16270821 |
| Topological Polar Surface Area | 64.6 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Melting Point | 287 - 288 °C |
|---|
| Reported hazard statements | H302 (100%), H413 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
NEQUINATE; 13997-19-8; Methyl benzoquate; Methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate; 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester; ICI 55,052; DTXSID2048610; Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate; AY-20385; ICI-55052; AY-20,385; 91ZE013933; DTXCID5028536; methylbenzoquate; RefChem:165486; 237-796-6
CAS 13997-19-8; molecular formula C22H23NO4; molecular weight — g/mol.
NEQUINATE, 13997-19-8, Methyl benzoquate, Methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate, 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester, ICI 55,052.
Hazard statements reported: H302, H413.
Melting Point: 287 - 288 °C.
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.