AG0003DO

100986-89-8 | 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-

AG0003DO

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CAS Number	100986-89-8
Catalog Number	AG0003DO(AGN-PC-0OQ83P)
Chemical Name	7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-
IUPAC Name	(2S)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI	InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)/t5-/m0/s1
InChI Key	NVKWWNNJFKZNJO-YFKPBYRVSA-N
MDL Number	MFCD04039905
Molecular Formula	C13H9F2NO4
Molecular Weight	281.2117
SMILES	FC=1C(=C2C=3N([C@H](CO2)C)C=C(C(C3C1)=O)C(=O)O)F
UNII	08GT8FY84E
Synonyms	100986-89-8, Levofloxacin Q-Acid, Levofloxacin carboxylic acid, (S)-9,10-Difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, UNII-08GT8FY84E, 08GT8FY84E, Levofloxacin acid, (3S)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, Levofloxacin q-acid, (-)-, Levofloxacin related compound B, (-)-9,10-difluoro-3(S)-methyl-7-oxo-2,3-dihydro-7H- pyrido (1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, AK-56895, Levofloxacin related compound B [USP], Levofloxacin related compound B RS [USP], AC1LELV0, SCHEMBL2333806, CTK0H4797, ZINC57096, DTXSID60143604, 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid, NVKWWNNJFKZNJO-YFKPBYRVSA-N, 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-(3S)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, KS-00000H1D, ANW-58925, AKOS016002127, AC-7592, ACN-038327, FS-4544, (S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic acid, AJ-09575, BC209423, SC-15832, AB0088529, AX8150630, FT-0642442, L0238, 86D898, Levofloxacin Carboxylic Acid (Levofloxacin Difluoro Impurity), UNII-501W86694Z component NVKWWNNJFKZNJO-YFKPBYRVSA-N, 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-azaphenalene-5-carboxylic acid, Levofloxacin Related Compound B, United States Pharmacopeia (USP) Reference Standard, (-) -9,10-difluoro-3(S)-methyl-7-oxo-2,3-dihydro-7H -pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, (-) -9,10-difluoro-3(S)-methyl-7-oxo-2,3-dihydro-7H-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, (-)-9,10-difluoro-3(S)-methyl-7-oxo-2,3-dihydro-7H-pyrido [1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, (-)-9,10-difluoro-3(S)-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid, (3S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (S)-(-) 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4] benzoxazine-6-carboxylic acid, (S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, (S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 97%, (S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 97%, (S)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido [1,2,3-de] [1,4]benzoxazine-6-carboxylic acid, (S)-(-)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido [1,2,3-de][1,4]benzoxazine-6-carboxylic acid, (S)-(-)-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid, (S)-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, Levofloxacin Impurity A, IFLab1_001868, CID688333, MFCD04039905, Levofloxacin Q-acid, 98% - 1G 1g, (S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido-[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, S-(-)-9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO-[1,2,3-DE][1,4]-BENZOXAZINE-6-CARBOXYLICACID,

Complexity	495
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	281.05g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	281.215g/mol
Monoisotopic Mass	281.05g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number