chempirical

Tosufloxacin monohydrate

C19H17F3N4O4CAS 107097-79-0422.36 g/mol

Open in Covalent MOL file
NH2NONNFFOOHFH2O
Aryl halideCarboxylic acidPrimary amineTertiary amine

Properties

Molecular formula
C19H17F3N4O4
Molar mass
422.36 g/mol
Exact mass
422.1202 Da
logP
1.21Crippen estimate
Polar surface area
132.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
107097-79-0
SMILES
C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O
InChIKey
FCHGAGZTPICOSW-UHFFFAOYSA-N
InChI
InChI=1S/C19H15F3N4O3.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);1H2

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

Names and synonyms

1 names
  • Tosufloxacin tosilate

Work with Tosufloxacin monohydrate

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

Tosufloxacin100490-36-696 % similar Tosufloxacin108138-46-196 % similar Tosufloxacin tosylate115964-29-977 % similar Clinafloxacin105956-97-651 % similar Enoxacin sesquihydrate84294-96-249 % similar Enoxacin74011-58-846 % similar Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate100491-29-044 % similar Gemifloxacin175463-14-644 % similar

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

Elsewhere

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