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Grepafloxacin

PropertiesImage
MNX_IDMNXM55675 Image of MNXM55675
referencechebi:5543
formulaC19H22FN3O3
global charge0
mol weight359.401
InChIKeyAIJTTZAVMXIJGM-UHFFFAOYSA-N
InChIInChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)
SMILESCC1=C(F)C(N2CCNC(C)C2)=CC2=C1C(=O)C(C(=O)O)=CN2C1CC1
MNX internals
InChI (mnx)InChI=1/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)/t10? Image of MNXM55675
SMILES (mnx)[CH3:1][CH:10]1[CH2:8][N:22]([C:15]2=[C:17]([F:20])[C:11]([CH3:2])=[C:16]3[C:14](=[CH:7]2)[N:23]([CH:12]2[CH2:3][CH2:4]2)[CH:9]=[C:13]([C:19](=[O:25])[OH:26])[C:18]3=[O:24])[CH2:6][CH2:5][NH:21]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5543
chebi:5543
AIJTTZAVMXIJGM-UHFFFAOYSA-N 		Grepafloxacin
grepafloxacin HCl
grepafloxacin hydrochloride
grepafloxacin hydrochloride hydrate
tomefloxacin

seed.compound:cpd08222
seedM:cpd08222
sabiork.compound:13437
sabiorkM:13437
kegg.compound:C11368
keggC:C11368
AIJTTZAVMXIJGM-UHFFFAOYSA-N 		Grepafloxacin
hmdb:HMDB0014509
AIJTTZAVMXIJGM-UHFFFAOYSA-N 		Grepafloxacin
(+--)-1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
(+--)-1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid monohydrochloride
1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Grepafloxacin HCL
Grepafloxacin hydrochloride
Raxar
grepafloxacin

hmdb:HMDB14509
keggC:M_C11368
seedM:M_cpd08222 		secondary/obsolete/fantasy identifier