Moxifloxacin
PubChem CID: 152946
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| Compound Synonyms | moxifloxacin, 151096-09-2, Avelox, Moxifloxacine, Avolex, Zimoxin, Avelox IV, Moxifloxacino, UNII-U188XYD42P, CCRIS 8690, U188XYD42P, 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, CHEBI:63611, HSDB 8026, 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, 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, 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)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DTXSID3048491, Izilox, Moxifloxacin (INN), (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, MFX, MOXIFLOXACIN [INN], Moxifloxacin [INN:BAN], 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, MFCD04117996, 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, MXFX, Actira (*Hydrochloride*), Avelox (*Hydrochloride*), moxifloxacinum, moxyfloxacin, 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, 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-, Avelox IV (TN), Moxifloxacin (Standard), MOXIFLOXACIN [MI], MOXIFLOXACIN [VANDF], SCHEMBL24007, MOXIFLOXACIN [WHO-DD], DTXCID9028465, GTPL10915, EX-A016, J01MA14, S01AE07, 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, BCP22895, RKL10080, BAY128039, BDBM50366824, HY-66011A, NSC782304, s5535, BAY 12-8039 (*Hydrochloride*), AKOS015895251, BAY-128039, BCP9000962, CCG-221192, CS-1895, DB00218, NSC-782304, NCGC00183881-09, NCGC00183881-11, NCGC00271749-08, AC-25913, AS-41986, FM145387, MXF, BCP0726000137, SBI-0206792.P001, NS00000171, D08237, AB00171653-11, AB00171653-13, AB00171653-14, AB00171653_15, EN300-1726094, AR-270/43507941, 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 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 727.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 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 |
| Prediction Hob | 1.0 |
| Target Id | NPT98, NPT2691, NPT2856 |
| Xlogp | 0.6 |
| Molecular Formula | C21H24FN3O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FABPRXSRWADJSP-MEDUHNTESA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -4.55 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.191 |
| Compound Name | Moxifloxacin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 401.175 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 401.175 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 401.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2146880137931038 |
| Inchi | InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1 |
| Smiles | COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amorpha Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients