| CAS Number | 616205-76-6 |
| Catalog Number | AG00ECMQ(AGN-PC-05J2W9) |
| Chemical Name | 1-Cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| IUPAC Name | 1-cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C18H20FN3O4/c1-9-7-21(5-4-20-9)15-13(19)6-11-14(17(15)24)22(10-2-3-10)8-12(16(11)23)18(25)26/h6,8-10,20,24H,2-5,7H2,1H3,(H,25,26) |
| InChI Key | DXDATEPTOGKWES-UHFFFAOYSA-N |
| MDL Number | MFCD10001492 |
| Molecular Formula | C18H20FN3O4 |
| Molecular Weight | 361.3675 |
| SMILES | O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4CC(C)NCC4)=C3O)C1=O)O |
| Synonyms | O-Desmethyl Gatifloxacin,
616205-76-6,
1-Cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
Gatifloxacin related compound a,
SCHEMBL3957125,
CTK8E7469,
DTXSID20675810,
AK326055,
AX8131907,
RT-014818,
FT-0666125,
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic Acid,
1-CYCLOPROPYL-6-FLUORO-8-HYDROXY-7-(3-METHYLPIPERAZIN-1-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC,
1-cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid,
GATIFLOXACINRELATEDCOMPOUNDA,
1-Cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.373g/mol |
| Monoisotopic Mass | 361.144g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number