AG00IGKX

91296-87-6 | 3-​Quinolinecarboxylic acid, 6-​fluoro-​1-​(4-​fluorophenyl)​-​1,​4-​dihydro-​4-​oxo-​7-​(1-​piperazinyl)​-​, hydrochloride (1:1)

AG00IGKX

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CAS Number	91296-87-6
Catalog Number	AG00IGKX(AGN-PC-0VS0FO)
Chemical Name	3-​Quinolinecarboxylic acid, 6-​fluoro-​1-​(4-​fluorophenyl)​-​1,​4-​dihydro-​4-​oxo-​7-​(1-​piperazinyl)​-​, hydrochloride (1:1)
IUPAC Name	6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
InChI	InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
InChI Key	KNWODGJQLCISLC-UHFFFAOYSA-N
MDL Number	MFCD24539194
Molecular Formula	C20H18ClF2N3O3
Molecular Weight	421.8250
NSC Number	758956
SMILES	O=C(C1=CN(C2=CC=C(F)C=C2)C3=C(C=C(F)C(N4CCNCC4)=C3)C1=O)O.[H]Cl
UNII	I36JP4Q9DF
Synonyms	1-(4-fluorophenyl)-6-fluoro-7-(1-piperazinyl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid, 1-FPFPOC, 6-fluoro-1-(4-fluorophenyl)-7-piperazinyl-1,4-dihydro-4-quinolone-3-carboxylic acid, A 56620, A-56620, sarafloxacin, sarafloxacin hydrochloride, SARAFLOXACIN HYDROCHLORIDE, 91296-87-6, Sarafloxacin HCl, UNII-I36JP4Q9DF, Sarafloxacin (hydrochloride), ABBOTT-56620, I36JP4Q9DF, Sarafloxacin hydrochloride [USAN], Saraflox, NCGC00095163-01, AK126668, PD 121960, S-0500, DSSTox_CID_25939, DSSTox_RID_81237, A 56620, DSSTox_GSID_45939, 6-Fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid hydrochloride, 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride, Sarafloxacin hydrochloride (USAN), SaraFlox WSP, 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride, CAS-91296-87-6, Sarafin, A-56620, 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride, SaraFlox Injectable, SaraFlox WSP (TN), SarafloxacinHydrochloride, Abbott 56620, sarafloxacin-hydrochloride, 3-Quinolinecarboxylicacid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, AC1L1KL6, Sarafloxacin monohydrochloride, C20H18ClF2N3O3, SPECTRUM1505314, ABBOTT-57135, Abbott-57135 [sarafloxacin], CHEMBL542157, DTXSID8045939, CTK8G3052, HY-B0343A, A-56620 HCl, HMS1922D04, Pharmakon1600-01505314, BCP13147, KS-000012CG, Tox21_111462, CCG-39997, MFCD03427297, MFCD11869789, NSC758956, s1977, AKOS016013115, Tox21_111462_1, API0004138, CS-2385, MCULE-6661335977, NSC-758956, NCGC00095163-02, NCGC00177995-02, 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, monohydrochloride, 6-Fluoro-1-(p-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid monohydrochloride, AN-35005, AS-16087, S303, SC-75515, AB2000399, AX8109110, B1828, FT-0630976, S0840, D05802, A-57135, Sarafloxacin hydrochloride, Antibiotic for Culture Media Use Only, 3-Quinolinecarboxylic acid,6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-,monohydrochloride, 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid hydrochloride, null, C20H17F2N3O3.ClH, CID56207, C20-H17-F2-N3-O3.Cl-H, A11659,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	421.1g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	421.829g/mol
Monoisotopic Mass	421.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	0
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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