Moxifloxacin
CAS Number: 151096-09-2
Molecular Mass: 401.4 g/mol
Formula: C21H24FN3O4
Smiles: COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
Synonymes:
Moxifloxacin, moxifloxacin, 151096-09-2, Avelox, Moxifloxacine, Zimoxin, Avelox IV, Moxifloxacino, Izilox, U188XYD42P, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-, 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, DTXSID3048491, CHEBI:63611, Actira, BAY128039, BAY-128039, 7-[(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Avelox I.V., 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, moxifloxacinum, 7-((4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, 7-((4aS,7aS)-octahydro-1H-pyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, RefChem:6043, DTXCID9028465, J01MA14, S01AE07, 1-cyclopropyl--7-(2,8-diazabicyclo(4.3.0)non-8-yl)-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 604-773-0, 7-((4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo(3,4-b)pyridin-1-ium-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate, Avalox, 1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, MFCD04117996, Moxifloxacin (INN), 1-Cyclopropyl-6-Fluoro-8-Methoxy-7-[(4as,7as)-Octahydro-6h-Pyrrolo[3,4-B]pyridin-6-Yl]-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid, C21H24FN3O4, Avolex, MOXIFLOXACIN [INN], Moxifloxacin [INN:BAN], (1'S,6'S)-1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid, MFX, 1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, MXFX, Actira (*Hydrochloride*), Avelox (*Hydrochloride*), moxyfloxacin, UNII-U188XYD42P, CCRIS 8690, HSDB 8026, Avelox IV (TN), Moxifloxacin (Standard), MOXIFLOXACIN [MI], Moxifloxacin Impurity 187, MOXIFLOXACIN [VANDF], SCHEMBL24007, MOXIFLOXACIN [WHO-DD], orb1310714, SCHEMBL29356466, GTPL10915, EX-A016, MSK5767, FABPRXSRWADJSP-MEDUHNTESA-N, GLXC-03039, HMS3715P05, HY-66011AR, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aR,7aR)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid, RKL10080, BDBM50366824, EBC-12282, HY-66011A, MSK5767-100M, NSC782304, s5535, T0331L, BAY 12-8039 (*Hydrochloride*), AKOS015895251, CCG-221192, CS-1895, DB00218, NSC-782304, NCGC00183881-09, NCGC00183881-11, NCGC00271749-08, AC-25913, AS-41986, FM145387, MXF, SBI-0206792.P001, Moxifloxacin Solution in Methanol, 100ug/mL, NS00000171, D08237, AB00171653-11, AB00171653-13, AB00171653-14, AB00171653_15, EN300-1726094, AR-270/43507941, F793005, Q424940, SR-01000763482, SR-01000763482-3, BRD-K66615216-003-13-0, BRD-K66615216-003-14-8, 1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacid, 1-cyclopropyl-6-fluoro-8-methoxy-7-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Octanol | 293.15 | - | 2.394 | [287] |
| 1-Octanol | 298.15 | - | 2.984 | [287] |
| 1-Octanol | 303.15 | - | 3.659 | [287] |
| 1-Octanol | 308.15 | - | 4.461 | [287] |
| 1-Octanol | 313.15 | - | 5.312 | [287] |
| Ethanol | 293.15 | - | 68.24 | [287] |
| Ethanol | 298.15 | - | 74.69 | [287] |
| Ethanol | 303.15 | - | 81.61 | [287] |
| Ethanol | 308.15 | - | 89.16 | [287] |
| Ethanol | 313.15 | - | 97.57 | [287] |
| Hexane | 293.15 | - | 0.0273 | [287] |
| Hexane | 298.15 | - | 0.0345 | [287] |
| Hexane | 303.15 | - | 0.0431 | [287] |
| Hexane | 308.15 | - | 0.0526 | [287] |
| Hexane | 313.15 | - | 0.0634 | [287] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1583.5920 |
| PMI2 | 5726.3076 |
| PMI3 | 6664.2743 |
| NPR1 | 0.2376 |
| NPR2 | 0.8593 |
| RadiusOfGyration | 4.1719 |
| InertialShapeFactor | 0.0005 |
| Eccentricity | 0.9714 |
| Asphericity | 0.4492 |
| SpherocityIndex | 0.2217 |
| PBF | 1.0143 |