AG00189D

138199-71-0 | 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate (2:1), (3S)-

AG00189D

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CAS Number	138199-71-0
Catalog Number	AG00189D(AGN-PC-0PMC1X)
Chemical Name	7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate (2:1), (3S)-
EC Number	604-067-2
IUPAC Name	(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrate
InChI	InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1
InChI Key	SUIQUYDRLGGZOL-RCWTXCDDSA-N
MDL Number	MFCD07772024
Molecular Formula	C36H42F2N6O9
Molecular Weight	740.7503
SMILES	O=C(C(C1=O)=CN2[C@@H](C)COC3=C(N4CCN(C)CC4)C(F)=CC1=C23)O.[H]O[H].O=C(C(C5=O)=CN6[C@@H](C)COC7=C(N8CCN(C)CC8)C(F)=CC5=C67)O
UNII	6GNT3Y5LMF
Synonyms	Anhydrous, Levofloxacin, Levaquin, Levofloxacin, Levofloxacin Anhydrous, Ofloxacin, (S)-Isomer, Quixin, Levofloxacin Hemihydrate, 138199-71-0, Levofloxacin hydrate, UNII-6GNT3Y5LMF, Levofloxacin [USAN], RWJ 25213, 6GNT3Y5LMF, Levofloxacin hydrate(2:1), Levofloxacin (USAN), Levaquin (TN), (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1), (s)-(-)-ofloxacine, Dynaquin, C18H20FN3O4.H2O, (-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, hemihydrate, (S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrate(2:1), 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate (2:1), (S)-, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-hydrate (2:1), (S)-, AK163683, Quixin (TN), LVFX, Iquix (TN), AC1MHWKS, Levofloxacin hydrate (JP17), SCHEMBL1650602, CTK8E8458, DTXSID60160533, SUIQUYDRLGGZOL-RCWTXCDDSA-N, KS-00000CM8, MFCD07772024, AKOS015896149, KS-1077, Levofloxacin [USAN:USP:INN:BAN:JAN], AN-31825, SC-24784, LS-173016, RT-013574, ST24047488, D00588, J10056, 199L710, I06-1689, Levofloxacin, United States Pharmacopeia (USP) Reference Standard, Levofloxacin Hemihydrate, Pharmaceutical Secondary Standard; Certified Reference Material, (S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylicAcidHemihydrate, 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate (2:1), (3S)-, LEVOFLOXACIN, Levaquin, Quixin, Iquix, ofloxacin, levofloxacin lactate, Levofloxacin (hydrate), C18H20FN3O4, RWJ-25213, C18H20FN3O4.1/2H2O, CID3033924, DR-3355, C18-H20-F-N3-O4.1/2H2-O, 100986-85-4, LEVAQUIN IN DEXTROSE 5% IN PLASTIC CONTAINER,

Complexity	634
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	740.298g/mol
Formal Charge	0
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	740.762g/mol
Monoisotopic Mass	740.298g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	148A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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