chempirical

Pazufloxacin

C16H15FN2O4CAS 127045-41-4318.30 g/mol

Open in Covalent MOL file
ONH2FOOOHN
Aryl halideCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C16H15FN2O4
Molar mass
318.30 g/mol
Exact mass
318.1016 Da
Melting point
269–271.5 °C
logP
1.74Crippen estimate
Polar surface area
94.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
127045-41-4
SMILES
C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey
XAGMUUZPGZWTRP-ZETCQYMHSA-N
InChI
InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-
  • 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-
  • (3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
  • T 3761
  • (-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

Work with Pazufloxacin

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

Pazufloxacin methanesulfonate163680-77-186 % similar 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid82419-35-073 % similar N-Desmethyl levofloxacin117707-40-163 % similar Ofloxacin82419-36-163 % similar Ofloxacin hydrochloride118120-51-761 % similar Levofloxacin hydrate138199-71-061 % similar Levofloxacin hydrochloride177325-13-261 % similar 8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid80076-47-754 % similar

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

Elsewhere

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