AG001N5P

151213-15-9 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-

AG001N5P

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CAS Number	151213-15-9
Catalog Number	AG001N5P(AGN-PC-0Q5QBY)
Chemical Name	3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-
EC Number	604-776-7
IUPAC Name	7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C20H21F2N3O3/c21-14-6-12-17(25(11-3-4-11)8-13(19(12)26)20(27)28)16(22)18(14)24-7-10-2-1-5-23-15(10)9-24/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28)/t10-,15+/m0/s1
InChI Key	WEXQOLCYKFJAJZ-ZUZCIYMTSA-N
MDL Number	MFCD21364378
Molecular Formula	C20H21F2N3O3
Molecular Weight	389.3958
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N(C4)C[C@]5([H])[C@@]4([H])CCCN5)=C3F)C1=O)O
UNII	3QPU25JTSN
Synonyms	151213-15-9, 8-Desmethoxy-8-fluoro Moxifloxacin, 1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, UNII-3QPU25JTSN, 3QPU25JTSN, 1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo-[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-6,8-difluoro-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-6,8-difluoro-1,4-dihydro-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-6,8-difluoro-4-oxoquinoline-3-carboxylic acid, Moxifloxacin related compound A, 1-cyclopropyl-6,8-difluoro-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-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-, AK104104, Moxifloxacin related compound A [USP], Moxifloxacin related compound A RS [USP], 8-Desmethoxy-8-fluoro moxifloxacin, (-)-, EC 604-776-7, Moxifloxacin hydrochloride specified impurity A [EP], CHEMBL109031, SCHEMBL8982729, Moxifloxacin Imp. A (EP,BP), CTK8C3046, DTXSID80164735, C20H21F2N3O3, BCP18299, ZINC5932777, 7580AA, ANW-69595, MFCD21364378, AKOS016006333, ACN-026561, CS-W007161, DS-4217, 7-((4aS,7aS)-1,2,4a,5,7,7a-Hexahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid, AJ-55229, AX8235643, RT-010906, ST24037971, l)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, J-008788, 1-cyclopropyl-6,8-difluoro-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-y, 1-Cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic Acid, 1-cyclopropyl-6,8-difluoro-4-oxo-7-((4aS,7aS)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-1,4-dihydroquinoline-3-carboxylic acid, 1-cyclopropyl-6,8-difluoro-7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-6,8-difluoro-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-6,8-difluoro-1,4-dihydro-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-, (4aS-cis)-, AIDS104581, 151213-15-9 (free base), CID10025461, 3-Quinolinecarboxylicacid,1-cyclopropyl-6,8-difluoro-1,4-dihydro-7- -4-oxo-, -, 7-[(4aS,7aS)-1,2,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid,

Complexity	713
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	389.155g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	389.403g/mol
Monoisotopic Mass	389.155g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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

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