AG000KL9

123447-62-1 | 1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-

AG000KL9

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CAS Number	123447-62-1
Catalog Number	AG000KL9(AGN-PC-0JL6WO)
Chemical Name	1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-
IUPAC Name	6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
InChI	InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)
InChI Key	PWNMXPDKBYZCOO-UHFFFAOYSA-N
MDL Number	MFCD00864847
Molecular Formula	C21H20FN3O6S
Molecular Weight	461.4634
SMILES	O=C(C1=C(SC2C)N2C3=C(C=C(F)C(N4CCN(CC5=C(C)OC(O5)=O)CC4)=C3)C1=O)O
Synonyms	6-fluoro-1-methyl-7-(4-(5-methyl-2-oxo-1,3-dioxelen-4-yl)methyl-1-piperazinyl)-4-oxo-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid, NM 441, NM-441, NM441, prulifloxacin, Prulifloxacin, 123447-62-1, NM 441, Prulifloxacin [INN], NM-441, Quisnon, Pruvel, Sword, CCRIS 7686, 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid, NCGC00164615-01, AK144730, DSSTox_CID_26480, DSSTox_RID_81651, DSSTox_GSID_46480, 1H,4H-(1,3)Thiazeto(3,2-a)quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)-1-piperazinyl)-4-oxo-, Q-101929, NM441, (+-)-7-(4-((Z)-2,3-Dihydroxy-2-butenyl)-1-piperazinyl)-6-fluoro-1-methyl-4-oxo-1H,4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid, cyclic carbonate, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid, CAS-123447-62-1, Pufloxacin dioxolil, 1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-, 6-fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid, AC1L24AZ, AC1Q6H3L, MLS006011767, CHEMBL422648, NAD-441A, OPT-99, SCHEMBL1650794, DTXSID0046480, CHEBI:32071, KS-00000GZP, AOB5600, PWNMXPDKBYZCOO-UHFFFAOYSA-N, BCP12727, HY-B0024, Tox21_112235, BBL034010, MFCD00864847, STK626148, AKOS005559236, Tox21_112235_1, AC-2012, AN-5553, API0003968, CS-2950, DB11892, MCULE-8435182996, SB18983, NCGC00164615-02, NCGC00164615-03, AS-13607, BC208945, I926, SC-88499, SMR000046722, AB0013936, AB2000475, LS-150467, FT-0651733, P2058, ST24045357, K-1771, 447P621, Prulifloxacin, >=98% (perchloric acid titration), SR-01000872596, I06-0209, I06-1868, Prulifloxacin, Antibiotic for Culture Media Use Only, SR-01000872596-1, BRD-A92341659-001-01-6, 6-Fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic Acid, UNII-J42298IESW, 2-iodo-1,4-benzenediamine, C21H20FN3O6S, J42298IESW, CID65947, C21-H20-F-N3-O6-S, ACN-039935, CS-O-30718, C074191, 123447-63-2, 6-fluoro-1-methyl-7-(4-(5-methyl-2-oxo-1,3-dioxelen-4-yl)methyl-1-piperazinyl)-4-oxo-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid,

Complexity	931
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	461.106g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	461.464g/mol
Monoisotopic Mass	461.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	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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