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CHEBI:201441 - Gatifloxacin sesquihydrate

ChEBI IDCHEBI:201441
ChEBI NameGatifloxacin sesquihydrate
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SubmitterMetaboLights
DownloadsMolfile
Formula2C19H22FN3O4.3H2O
Net Charge0
Average Mass804.845
Monoisotopic Mass804.35056
SMILESCOc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.O.O.O
InChIInChI=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
InChIKeyRMJMZKDEVNTXHE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Gatifloxacin sesquihydrate (CHEBI:201441) is a quinolines (CHEBI:26513)
IUPAC Name 
1-cyclopropyl-6-luoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;trihydrate
Manual XrefsDatabases
D00589KEGG DRUG
4445543ChemSpider