chempirical

Gatifloxacin sesquihydrate

C19H24FN3O5CAS 180200-66-2393.42 g/mol

Open in Covalent MOL file
ONNHFOOOHNH2O
Aryl halideCarboxylic acidEtherSecondary amineTertiary amine

Properties

Molecular formula
C19H24FN3O5
Molar mass
393.42 g/mol
Exact mass
393.1700 Da
logP
1.16Crippen estimate
Polar surface area
115.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
180200-66-2
SMILES
COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.O
InChIKey
IJOOSVJZBQQMBV-UHFFFAOYSA-N
InChI
InChI=1S/C19H22FN3O4.H2O/c1-10-8-22(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;/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-, hydrate (2:3)
  • (±)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, sesquihydrate
  • 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid sesquihydrate

Work with Gatifloxacin sesquihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Gatifloxacin112811-59-396 % similar Gatifloxacin160738-57-896 % similar Balofloxacin127294-70-670 % similar Moxifloxacin151096-09-269 % similar Moxifloxacin hydrochloride186826-86-866 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-062 % similar Lomefloxacin98079-51-761 % similar Lomefloxacin hydrochloride98079-52-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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