AG0021SP

180200-66-2 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-, hydrate (2:3)

AG0021SP

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CAS Number	180200-66-2
Catalog Number	AG0021SP(AGN-PC-0QBS54)
Chemical Name	3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-, hydrate (2:3)
IUPAC Name	1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;trihydrate
InChI	InChI=1S/2C19H22FN3O4.3H2O/c2*1-10-8-22(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;;;/h2*7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);3*1H2
InChI Key	RMJMZKDEVNTXHE-UHFFFAOYSA-N
MDL Number	MFCD22373645
Molecular Formula	C38H50F2N6O11
Molecular Weight	804.8340
SMILES	C1=C4C(=C(OC)C(=C1F)N2CC(NCC2)C)N(C3CC3)C=C(C4=O)C(O)=O.C5=C8C(=C(OC)C(=C5F)N6CC(NCC6)C)N(C7CC7)C=C(C8=O)C(O)=O.O.O.O
UNII	L4618BD7KJ
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 sesquihydrate, 180200-66-2, 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid sesquihydrate, UNII-L4618BD7KJ, L4618BD7KJ, Gatifloxacin (USAN), Gatifloxacin [USAN], AK-72926, bis(1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid) trihydrate, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, sesquihydrate, gatifloxacin tablet, Gatiflo (TN), Tequin (TN), GFLX, Zymar (TN), AC1NQZZG, akos ncg1-0010, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid sesquihydrate, 3-Quniolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-, hydrate (2:3), bis(gatifloxacin) trihydrate, Gatifloxacin hydrate (JAN), KS-00000IOA, RMJMZKDEVNTXHE-UHFFFAOYSA-N, MFCD22373645, AKOS015920126, DS-1277, BR-72926, SC-47860, AB0068958, FT-0626634, ST24027082, D00589, S-2482, C-21243, Gatifloxacin sesquihydrate, VETRANAL(TM), analytical standard, Gatifloxacin, United States Pharmacopeia (USP) Reference Standard, 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic, 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid trihydrate, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-, hydrate (2:3), Gatifloxacin, Zymaxid, Tequin, Zymar, Gatifloxacin hydrate, COMPONENT, Gatifloxacin [USAN:INN], C19H22FN3O4.3/2H2O, CID5282384, C19-H22-F-N3-O4.3/2H2-O,

Complexity	653
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	804.351g/mol
Formal Charge	0
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	19
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	804.846g/mol
Monoisotopic Mass	804.351g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	167A^2
Undefined Atom Stereocenter Count	2
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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