AG001VAA

112811-59-3 | 1-Cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylicacid

AG001VAA

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CAS Number	112811-59-3
Catalog Number	AG001VAA(AGN-PC-0BS7RF)
Chemical Name	1-Cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylicacid
IUPAC Name	1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
InChI Key	XUBOMFCQGDBHNK-UHFFFAOYSA-N
MDL Number	MFCD07368033
Molecular Formula	C19H22FN3O4
Molecular Weight	375.3941
NSC Number	758701
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4CC(C)NCC4)=C3OC)C1=O)O
Synonyms	1-cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, AM 1155, AM-1155, BMS 206584, BMS-206584, BMS206584, CG 5501, gatifloxacin, gatifloxacine, Tequin, Zymar, Gatifloxacin, 112811-59-3, Tequin, Zymar, Gatiflo, AM-1155, Gatifloxacine, Gatiquin, Gatispan, Gatilox, Zymaxid, Gaity, AM 1155, CG 5501, BMS-206584, Gatifloxacin [USAN:INN], 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, BMS 206584-01, gatifloxacino, gatifloxacinum, 1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, PD 135432, CHEMBL31, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-, CHEBI:5280, CG5501, Gatifloxacin, 98%, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, 160738-57-8, gatifloxin, NCGC00068236-02, CPD000043336, G-2380, DSSTox_CID_25704, DSSTox_RID_81076, DSSTox_GSID_45704, 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Bonoq, Tymer, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid, 1-cyclopropyl-6-fluoro- 8-methoxy-7-(3-methylpiperazin-1-yl)- 4-oxo-quinoline-3-carboxylic acid, SMR000043336, Gatifloxacin (TN), Gatifloxacin (INN), GTFX, gatifloxacin anhydrous, CAS-112811-59-3, Zymer (TN), 1-cyclopropyl-6-fluoro-8-methoxy-7-, SR-01000610458, (3-methylpiperazin-1-yl)-4-oxo-1,4-, Gatifloxcin, Tequin in dextrose 5% in plastic container, AM-1155 (*Sesquihydrate*), Gatifloxacin & Gamma Interferon, Tequin and Zymar, Gatifloxacin,(S), CG-5501, Kinome_3137, PubChem21048, Spectrum_001909, PD135432, BMS-206584-01, PD-135432, Gatiflo,Tequin and Zymar, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid sesquihydrate, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-piperazin-1-yl)- 4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, Spectrum2_000487, Spectrum3_000999, Spectrum4_001127, Spectrum5_001468, SCHEMBL22591, BSPBio_002697, KBioGR_001613, KBioSS_002448, MLS000040259, MLS000759493, MLS006011836, SPECTRUM1504272, SPBio_000353, Gatifloxacin Sesquihydrate,(S), AC1L1K82, DTXSID5045704, CTK6J4376, KBio2_002442, KBio2_005010, KBio2_007578, KBio3_001917, KS-00000IXR, XUBOMFCQGDBHNK-UHFFFAOYSA-N, HMS1922J15, HMS2090K10, HMS2093G06, HMS2233D20, HMS3259P06, HMS3372J10, HMS3372J12, HMS3715N03, Pharmakon1600-01504272, ALBB-028535, BCP13408, RKL10068, ZX-AN079351, ZX-AP010622, Tox21_110984, BBL010485, BDBM50117914, BG0576, CCG-39529, MFCD00895399, NSC758701, s1340, STK801620, AKOS004119932, AKOS016340697, Tox21_110984_1, AC-1944, API0002807, CS-1841, DB01044, KS-1066, MCULE-4557972261, NC00702, NSC-758701, RTR-002479, VA11838, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid, NCGC00068236-03, NCGC00068236-04, NCGC00068236-05, NCGC00068236-06, NCGC00068236-07, NCGC00068236-08, NCGC00095126-01, NCGC00095126-02, NCGC00178525-01, AK323595, AN-14480, AN-30562, AN-31062, BC204030, CC-34682, HY-10581, SAM001246715, SAM002589955, SC-12171, SBI-0206764.P001, AB0012064, AB1009302, AB2000056, AX8018671, DB-019145, LS-184402, TL8001438, TR-002479, FT-0082686, FT-0626635, FT-0631189, G0325, C07661, D08011, AB00171654-13, AB00171654-14, AB00171654_16, AB00171654_17, 811G593, A802657, C-21242, Gatifloxacin, Antibiotic for Culture Media Use Only, SR-01000610458-2, SR-01000610458-3, BRD-A74980173-001-02-8, BRD-A74980173-001-06-9, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-, 1-Cyclopropyl-6-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid, 1-Cyclopropyl-6-6-fluoro-1,4-dihydro-8-methoxy-7-(3methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazino)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 1-cyclopropyl-7-(3-methyl-1-piperazinyl)-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-, sesquihydrate, Zymer, Quinolone der., Gatifloxacin hydrate, Gatiflo (TN), Tequin (TN), Zymar (TN), gatifloxacin hydrochloride, Gatifloxacin sesquihydrate, D03CQE, UNII-81485Y3A9A, CID5379, dihydroquinoline-3-carboxylic acid, BMS206584, C19-H22-F-N3-O4, 81485Y3A9A, ACN-038330, BMS 206584, CS-O-11656, Gatiflo,Tequin and Zymar, Gatifloxacin, Gatifloxacin, 99% - 100MG 100mg, A1313, 180200-66-2, C078049, D000077734, GAT,

Complexity	653
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	375.159g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	375.4g/mol
Monoisotopic Mass	375.159g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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

Lot Number