| CAS Number | 105589-00-2 |
| Catalog Number | AG007E7Q(AGN-PC-01W6H2) |
| Chemical Name | N-(tert-Butoxycarbonyl) Desethylene Ciprofloxacin |
| IUPAC Name | 1-cyclopropyl-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C20H24FN3O5/c1-20(2,3)29-19(28)23-7-6-22-15-9-16-12(8-14(15)21)17(25)13(18(26)27)10-24(16)11-4-5-11/h8-11,22H,4-7H2,1-3H3,(H,23,28)(H,26,27) |
| InChI Key | LKODMWGXEQVSOF-UHFFFAOYSA-N |
| MDL Number | MFCD09840140 |
| Molecular Formula | C20H24FN3O5 |
| Molecular Weight | 405.4201 |
| SMILES | CC(C)(C)OC(=O)NCCNc1cc2N(C=C(C(=O)O)C(=O)c2cc1F)C3CC3 |
| Synonyms | N-(tert-Butoxycarbonyl) Desethylene Ciprofloxacin,
105589-00-2,
LKODMWGXEQVSOF-UHFFFAOYSA-N,
SCHEMBL5550915,
CTK8F0189,
DTXSID80593900,
ZINC22053475,
AKOS030255518,
RT-014188,
FT-0663965,
N-(tert-Butoxycarbonyl)desethylene ciprofloxacin,
1-Cyclopropyl-7-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-6-fluoro-1,4-dihydro-4-oxo-3-Quinolinecarboxylic Acid,
7-({2-[(tert-Butoxycarbonyl)amino]ethyl}amino)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
7-[(2-tertbutoxycarbonylaminoethyl)amino]-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-quinoline-3-carboxylic acid,
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| Complexity | 701 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.426g/mol |
| Monoisotopic Mass | 405.17g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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