Moxifloxacin

C21H24FN3O4CAS 151096-09-2401.44 g/mol

Open in Covalent MOL file
ONNHFOOOHN
Aryl halideCarboxylic acidEtherSecondary amineTertiary amine

Properties

Molecular formula
C21H24FN3O4
Molar mass
401.44 g/mol
Exact mass
401.1751 Da
Melting point
240 °C
pKa
6.2, 9.14
logP
2.37Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 27 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
151096-09-2
SMILES
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIKey
FABPRXSRWADJSP-MEDUHNTESA-N
InChI
InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-, (4aS-cis)-
  • 6H-Pyrrolo[3,4-b]pyridine, 3-quinolinecarboxylic acid deriv.
  • 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid
  • Vigamox
  • Izilox
  • Moxifloxacine
  • Avolex
  • Moxeza
  • Rapiflox
  • Moxicip

Work with Moxifloxacin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4ar,7ar)-octahydro-6H-pyrrolo[3,4-B]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid268545-13-7Enantiomer Moxifloxacin hydrochloride186826-86-8Salt

Similar compounds

7-((4aS,7aS)-1,2,4a,5,7,7a-Hexahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3H-quinoline-3-carboxylic acid151213-15-979 % similar 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid721970-36-178 % similar Gatifloxacin112811-59-371 % similar Gatifloxacin160738-57-871 % similar Gatifloxacin sesquihydrate180200-66-269 % similar Balofloxacin127294-70-668 % similar Gatifloxacin mesylate316819-28-066 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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