AG00BICA

226578-51-4 | (S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonic acid

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CAS Number	226578-51-4
Catalog Number	AG00BICA(AGN-PC-0QZ8V4)
Chemical Name	(S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonic acid
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;methanesulfonic acid
InChI	InChI=1S/C18H20FN3O4.CH4O3S/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;1-5(2,3)4/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H3,(H,2,3,4)/t10-;/m0./s1
InChI Key	ZSPLOATUDIRNAS-PPHPATTJSA-N
MDL Number	MFCD10566448
Molecular Formula	C19H24FN3O7S
Molecular Weight	457.4732
SMILES	S(C)(=O)(=O)O.O=C1C=2C3=C(C(=C(F)C2)N4CCN(C)CC4)OC[C@H](C)N3C=C1C(O)=O
UNII	TCV1WR4G2A
Synonyms	Levofloxacin mesylate, 226578-51-4, UNII-TCV1WR4G2A, TCV1WR4G2A, (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 compound with methanesulfonic acid (1:1), Levofloxacin mesilate, AK102425, C19H24FN3O7S, DTXSID70673048, KS-00000Q8S, MFCD10566448, AKOS016004919, API0019090, 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-, (3S)-, methanesulfonate (1:1), ACM226578514, AS-20129, AX8233964, ST2407070, Z6135, (3S)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid--methanesulfonic acid (1/1),

Complexity	727
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	457.132g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	457.473g/mol
Monoisotopic Mass	457.132g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	136A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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