| CAS Number | 931399-19-8 |
| Catalog Number | AG00GX0M(AGN-PC-0WBN2P) |
| Chemical Name | GSK360A |
| IUPAC Name | 2-[[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid |
| InChI | InChI=1S/C17H17FN2O5/c18-10-3-4-12-11(7-10)15(23)14(16(24)19-8-13(21)22)17(25)20(12)6-5-9-1-2-9/h3-4,7,9,23H,1-2,5-6,8H2,(H,19,24)(H,21,22) |
| InChI Key | TYHRZQVUPPODPT-UHFFFAOYSA-N |
| MDL Number | MFCD27977959 |
| Molecular Formula | C17H17FN2O5 |
| Molecular Weight | 348.3257 |
| SMILES | O=C(CNC(=O)C1C(=O)N(CCC2CC2)C2C=CC(=CC=2C=1O)F)O |
| Synonyms | GSK 360A,
GSK-360A,
GSK360A,
N-((1-(cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl)glycine,
GSK360A,
931399-19-8,
SCHEMBL8243641,
DTXSID10715754,
ZINC35332336,
ZINC103566494,
GSK360A, >=98% (HPLC),
FT-0669062,
N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl]glycine,
N-[[1-(2-Cyclopropylethyl)-6-fluoro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl]carbonyl]glycine,
N-[[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl]carbonyl]glycine,
TYHRZQVUPPODPT-UHFFFAOYSA-N,
|
| Complexity | 616 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.33g/mol |
| Monoisotopic Mass | 348.112g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number