Glafenine

Chemical Information
Glafenine is a carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market. It has a role as an inhibitor, a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is a glycol, a carboxylic ester, an organochlorine compound, an aminoquinoline and a secondary amino compound. It is functionally related to a glycerol and an anthranilic acid.
| CAS Number | 3820-67-5 |
| PubChem CID | 3474 |
| IUPAC Name | 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate |
| Molecular Formula | C19H17ClN2O4 |
| Molecular Weight | 372.8 |
| XLogP | 3.5 |
| Topological Polar Surface Area | 91.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 467 |
| Property | Value |
|---|---|
| Molecular Weight | 372.8 |
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 372.0876847 |
| Monoisotopic Mass | 372.0876847 |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 467 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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