| CAS Number | 70458-73-0 |
| Catalog Number | AG00FF8H(AGN-PC-0TY6FS) |
| Chemical Name | PEFLOXACIN IMPURITY B |
| IUPAC Name | 6-chloro-1-ethyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C17H20ClN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24) |
| InChI Key | UXZAUKKRNYGBEI-UHFFFAOYSA-N |
| MDL Number | MFCD26793870 |
| Molecular Formula | C17H20ClN3O3 |
| Molecular Weight | 349.8120 |
| SMILES | CCN1C2=C(C=C(C(N3CCN(C)CC3)=C2)Cl)C(=O)C(C(O)=O)=C1 |
| Synonyms | 70458-73-0,
PEFLOXACIN IMPURITY B,
CHEMBL26743,
SCHEMBL6664468,
UXZAUKKRNYGBEI-UHFFFAOYSA-N,
AKOS027301344,
1-ethyl-6-chloro-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid,
6-Chloro-1-ethyl-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
6-chloro-1-ethyl-7-(4-methylpiperazinyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.815g/mol |
| Monoisotopic Mass | 349.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number