chempirical

Gemifloxacin

C18H20FN5O4CAS 175463-14-6389.39 g/mol

Open in Covalent MOL file
ONNNFOOOHNH2N
Aryl halideCarboxylic acidOximePrimary amineTertiary amine

Properties

Molecular formula
C18H20FN5O4
Molar mass
389.39 g/mol
Exact mass
389.1499 Da
logP
0.97Crippen estimate
Polar surface area
123.0 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
5

Identifiers

CAS number
175463-14-6
SMILES
CO/N=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN
InChIKey
ZRCVYEYHRGVLOC-HYARGMPZNA-N
InChI
InChI=1/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+

Weigh it out

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

Names and synonyms

4 names
  • 1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
  • 7-[(4Z)-3-(Aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • LB 20304
  • SB 265805

Work with Gemifloxacin

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

Gemifloxacin mesylate210353-53-088 % similar 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid100361-18-054 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-048 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-346 % similar Balofloxacin127294-70-646 % similar Enoxacin74011-58-845 % similar Tosufloxacin100490-36-645 % similar Tosufloxacin108138-46-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook