| CAS Number | 526204-10-4 |
| Catalog Number | AG01E159(AGN-PC-0SD3YC) |
| Chemical Name | 7-chloro-1-cyclopropyl-4-oxo-6-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacidhydrochloride |
| IUPAC Name | 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C17H18ClN3O3.ClH/c18-13-8-14-11(7-15(13)20-5-3-19-4-6-20)16(22)12(17(23)24)9-21(14)10-1-2-10;/h7-10,19H,1-6H2,(H,23,24);1H |
| InChI Key | CXERMCKAUYNRNI-UHFFFAOYSA-N |
| MDL Number | MFCD28579790 |
| Molecular Formula | C17H19Cl2N3O3 |
| Molecular Weight | 384.2571 |
| SMILES | Cl.O=C(O)C1=CN(C2=CC(Cl)=C(C=C2C1=O)N3CCNCC3)C4CC4 |
| Synonyms | 526204-10-4,
7-Chloro-1-cyclopropyl-4-oxo-6-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic Acid Hydrochloride,
Ciproloxacin Related Compound A,
CXERMCKAUYNRNI-UHFFFAOYSA-N,
|
| Complexity | 571 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.257g/mol |
| Monoisotopic Mass | 383.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number