AG001N37

151096-09-2 | 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

AG001N37

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CAS Number	151096-09-2
Catalog Number	AG001N37(AGN-PC-0Q5MKT)
Chemical Name	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
EC Number	604-773-0
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
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
InChI Key	FABPRXSRWADJSP-MEDUHNTESA-N
MDL Number	MFCD04117996
Molecular Formula	C21H24FN3O4
Molecular Weight	401.4314
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N(C4)C[C@]5([H])[C@@]4([H])CCCN5)=C3OC)C1=O)O
UNII	U188XYD42P
Synonyms	1-cyclopropyl--7-(2,8-diazabicyclo(4.3.0)non-8-yl)-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, Actira, Avalox, Avelox, BAY 12 8039, BAY 12-8039, BAY 128039, BAY-12-8039, BAY-128039, BAY128039, Izilox, moxifloxacin, moxifloxacin hydrochloride, Octegra, Proflox, moxifloxacin, 151096-09-2, Moxifloxacin [INN:BAN], Vigamox, Moxeza, 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, UNII-U188XYD42P, BAY 12-8039, 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, CHEBI:63611, Izilox, Moxifloxacine, Avolex, (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, 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-, 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, Avelox I.V., MXFX, Actira (*Hydrochloride*), Avelox (*Hydrochloride*), moxyfloxacin, CCRIS 8690, HSDB 8026, 268545-13-7, 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-, AK-75805, Moxifloxacin (INN), Avelox IV (TN), (4R,7R)-Moxifloxacin, AC1L49EP, SCHEMBL24007, DTXSID3048491, CTK8B7522, EX-A016, FABPRXSRWADJSP-MEDUHNTESA-N, HMS3715P05, 1346747-14-5, AMX10191, BCP22895, RKL10080, ZINC3826253, ANW-57564, BDBM50366824, HY-66011A, MFCD04117996, BAY 12-8039 (*Hydrochloride*), AKOS015895251, AM84644, AN-1289, API0004683, BCP9000962, CCG-221192, CS-1895, DB00218, 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, AC-25913, AJ-45743, AS-41986, MXF, BCP0726000137, SBI-0206792.P001, AB0011262, AX8043888, LS-141510, ST2403416, TR-035776, 96M092, D08237, Q-9195, AB00171653-11, AB00171653-13, AB00171653-14, AB00171653_15, SR-01000763482, I06-1961, SR-01000763482-3, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-((4aR,7aS)-octahydropyrrolo[3,4-b]pyridin, 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, 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, Avelox, Moxifloxacin hydrochloride, Moxifloxacin HCl, Vigamox (TN), Avalox (TN), Avelon (TN), Avelox (TN), CHEMBL32, D0ZV0Z, C21H24FN3O4, C21-H24-F-N3-O4, CID152946, ACN-038333, CS-O-10464, 2998B, B1218, 186826-86-8, 354812-41-2, 192927-63-2, 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-,

Complexity	727
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	401.175g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	401.438g/mol
Monoisotopic Mass	401.175g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number