Pefloxacin
CAS Number: 70458-92-3
Molecular Mass: 333.36 g/mol
Formula: C17H20FN3O3
Smiles: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
Synonymes:
Pefloxacin, 70458-92-3, Pefloxacine, Pefloxacino, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Pefloxacinum, PFLX, AM-725, 1589 RB, EU-5306, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid, CHEBI:50199, 2H52Z9F2Q5, 1589-RB, DTXSID3048493, 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, pefloxacina, Pefocin, Pefbid, Pefran, Pelox, Pefloxacin, Silver, Mesylate, Pefloxacin, RefChem:389182, Dihydrate, Pefloxacin Mesylate, Mesylate Dihydrate, Pefloxacin, DTXCID9028467, J01MA03, R.B., 2589, 274-611-8, Pefloxacinium, Pefloxacinium mesylate, EU 5306, Pefloxacin (mesylate), 3-Quinolinecarboxylic acid,1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, 3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-, Pefloxacin [INN-French], Pefloxacinum [INN-Latin], PERFLOXACIN, Pefloxacino [INN-Spanish], 1584RB, Labocton, MLS001049009, SMR000273037, SR-01000356843, Pefloxacin (USAN/INN), SMR000387024, EINECS 274-611-8, BRN 0567618, Pefloxacin [USAN:INN:BAN], UNII-2H52Z9F2Q5, CCRIS 8210, MFCD00865015, 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-methyl-1-piperazinyl)-3-quinolinecarboxylic acid, 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, BAS 00463355, PEFLOXACIN [MI], PEFLOXACIN [INN], Spectrum2_000034, Spectrum3_001971, PEFLOXACIN [USAN], Epitope ID:540294, 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo, PEFLOXACIN [WHO-DD], Oprea1_063677, Oprea1_546341, SCHEMBL34292, BSPBio_003571, MLS000713556, MLS006011797, SPBio_000127, CHEMBL267648, cid_119525, SCHEMBL29351730, BDBM57936, GTPL12411, KBio3_002945, HMS1613E05, HMS2090H09, HMS3713G04, HY-B0147, BBL008795, EBC-26623, MFCD09028102, STK169677, AKOS000280245, CCG-111464, CS-1961, DB00487, NCGC00177986-04, FP153259, ST095166, VS-01991, SBI-0206758.P001, DB-055417, NS00002648, VU0243371-6, D02306, G78297, AB00600922-12, AB00600922-14, AB00600922_15, AB00600922_16, EN300-18563416, Q2601859, SR-01000356843-1, SR-01000356843-6, BRD-K55034111-001-02-0, BRD-K55034111-066-02-3, BRD-K55034111-066-07-2, BRD-K55034111-066-16-3, BRD-K55034111-066-17-1, F5577-0091, 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-methylpiperazinyl)quinoline-3-carboxylic Acid, 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1- piperazinyl)-4-oxo-3-quinolinecarboxylic acid, 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid, mesylic acid, 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylate, 1-ethyl-6-fluoro-7-(4-methylpiperazinyl)-4-oxohydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid, methanesulfonic acid, 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, methanesulfonic acid, 1-Ethyl-6-fluoro-7-(4-methylpiperaZin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid mesylate
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Octanol | 293.15 | - | 0.0012 | [170] |
| 1-Octanol | 298.15 | - | 0.002 | [170] |
| 1-Octanol | 303.15 | - | 0.0035 | [170] |
| 1-Octanol | 308.15 | - | 0.00565 | [170] |
| 1-Octanol | 313.15 | - | 0.009 | [170] |
| 1-Octanol | 318.15 | - | 0.014 | [170] |
| 1-Octanol | 323.15 | - | 0.0213 | [170] |
| 1-Octanol | 328.15 | - | 0.0312 | [170] |
| 1-Octanol | 333.15 | - | 0.0446 | [170] |
| Water | 293.15 | - | 0.0934 | [169] |
| Water | 298.15 | - | 0.1134 | [169] |
| Water | 303.15 | - | 0.1406 | [169] |
| Water | 308.15 | - | 0.1751 | [169] |
| Water | 313.15 | - | 0.2251 | [169] |
| Water | 318.15 | - | 0.288 | [169] |
| Water | 323.15 | - | 0.3829 | [169] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 896.5829 |
| PMI2 | 4569.5819 |
| PMI3 | 5305.2823 |
| NPR1 | 0.1690 |
| NPR2 | 0.8613 |
| RadiusOfGyration | 4.0194 |
| InertialShapeFactor | 0.0010 |
| Eccentricity | 0.9856 |
| Asphericity | 0.5769 |
| SpherocityIndex | 0.0892 |
| PBF | 0.5894 |