AG000WWF

127294-70-6 | 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

AG000WWF

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CAS Number	127294-70-6
Catalog Number	AG000WWF(AGN-PC-0PIJ9M)
Chemical Name	1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Name	1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChI Key	MGQLHRYJBWGORO-UHFFFAOYSA-N
MDL Number	MFCD00864925
Molecular Formula	C20H24FN3O4
Molecular Weight	389.4207
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4CC(NC)CCC4)=C3OC)C1=O)O
Synonyms	1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidine-1-yl)-4-oxoquinoline-3-carboxylic acid, balofloxacin, Q 35, Q-35, Balofloxacin, 127294-70-6, 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Balofloxacin [INN], Baloxin, Q 35, NCGC00167532-01, AK-55665, DSSTox_CID_26695, DSSTox_RID_81829, UNII-Q022B63JPM, DSSTox_GSID_46695, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid, J-700148, 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-, CAS-127294-70-6, AC1L24BT, AC1Q4N6B, CHEMBL1210954, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-, LS-141556, balofloxacin 98.5%, balofloxacin425.46, ACMC-20a7xm, BALOFLOXACIN 2-HYDRATE, SCHEMBL134163, balofloxacin 98.5% extra pure, DTXSID5046695, CTK4B5556, KS-00000IQK, MGQLHRYJBWGORO-UHFFFAOYSA-N, HMS3655N15, HY-B0159, RKL10070, Tox21_112529, ANW-61208, MFCD00864925, s2064, AKOS015900452, Tox21_112529_1, AN-1290, API0001584, CS-1991, KS-5214, RTC-070881, VA10367, NCGC00167532-02, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinoline arboxylic acid, CC-24240, AB2000468, AX8017910, TL8000675, B4354, FT-0082371, FT-0602907, ST24037975, SW220155-1, AB01566884_01, Balofloxacin, VETRANAL(TM), analytical standard, 294B706, C-21523, SR-01000872576, I14-0602, SR-01000872576-1, 3-quinolinecarboxylicacid,1,4-dihydro-1-cyclopropyl-6-fluoro-8-methoxy-7-(3-(, (+/-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-3-quinolinecarboxylic Acid Dihydrate, (+/-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidino]-4-oxo-3-quinolinecarboxylic acid, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidino]-4-oxo-3-quinolinecarboxylicacid, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxoquinoline-3-carboxylic Acid, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic acid, null, Q-Roxin, Balofloxacin hydrate, Balofloxacin dihydrate, D00XHD, Q022B63JPM, C20H24FN3O4, CID65958, C20-H24-F-N3-O4, ACN-043413, CS-O-00945, 151060-21-8, SODIUM 3-(3-{[(DIMETHYLAMINO)METHYLENE]AMINO}-2,4,6-TRIIODOPHENYL)PROPANOATE, Balofloxacin, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid dihydrate, q35,

Complexity	668
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.175g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	389.427g/mol
Monoisotopic Mass	389.175g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	82.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number