English
Danofloxacin
Phân loại: Reagent
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 112398-08-0 |
| Catalog Number | AG0082O0(AGN-PC-0P3E3Q) |
| Chemical Name | Danofloxacin |
| EC Number | 918-378-9 |
| IUPAC Name | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1 |
| InChI Key | QMLVECGLEOSESV-RYUDHWBXSA-N |
| MDL Number | MFCD00864910 |
| Molecular Formula | C19H20FN3O3 |
| Molecular Weight | 357.3788 |
| SMILES | CN1C[[email protected]@H]2C[[email protected]]1CN2c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O |
| UNII | 24CU1YS91D |
| Synonyms |
Advocid, Advocin, danofloxacin, danofloxacin mesylate, Danofloxacin, 112398-08-0, Danofloxacine, Danofloxacino, Danofloxacinum, UNII-24CU1YS91D, 24CU1YS91D, C19H20FN3O3, MFCD00864910, NCGC00164548-01, DSSTox_CID_26432, DSSTox_RID_81609, DSSTox_GSID_46432, CAS-112398-08-0, Danofloxacin [INN:BAN], Danofloxacine [INN-French], Danofloxacinum [INN-Latin], Danofloxacino [INN-Spanish], Advocin®, Advocin (TN), Danofloxacin (INN), AC1L2FYT, AC1Q5RE0, 5-methyl-2,5-diazabicyclo, (1s)-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-4-oxo-3-quinolinecarboxylic acid, MLS004774070, SCHEMBL149627, CHEMBL157548, DTXSID0046432, QMLVECGLEOSESV-RYUDHWBXSA-N, ZINC607798, 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid, Tox21_112177, A180 (TN), Tox21_112177_1, API0002210, NCGC00164548-02, 1-cyclopropyl-6-fluoro-7-((1S,4S)-, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo(2.2.1)hept-2-yl)-4-oxo-, (1S)-, AJ-23689, CC-26248, SMR003500744, [2.2.1]heptan-2-yl)-4-oxo-1,4-, AX8123394, D07774, AB01566811_01, Danofloxacin, VETRANAL(TM), analytical standard, C-20813, SR-01000872586, SR-01000872586-1, 1-cyclopropyl-6-fluoro-7-[(1s,4s)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-, Advocid, Advocin, Danofloxacin mesylate, Danofloxacin < Rec INN, D09CFM, CP-76136-27 (mesylate), dihydroquinoline-3-carboxylic acid, KST-1A0626, CID71335, AR-1A1401, C19-H20-F-N3-O3, CP-76136, C068581, 1134-61-8, 1-Cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, BAN, |
Chi tiết :
| Complexity | 679 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.385g/mol |
| Monoisotopic Mass | 357.149g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
| Hazard statements | H319-H373-H412 |
| Precuationary statements | P264-P280-P260-P273-P305+P351+P338-P337+P313-P314-P501 |
| Siginal words |