Basic information
- CAS
79644-90-9- Standard SMILES
CC1CCc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23- InChIKey
JATLJHBAMQKRDH-UHFFFAOYSA-N- Molecular formula
- C19H22FN3O3
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.16451978
Names & identifiers
- Preferred name
- Vebufloxacin
- IUPAC
- 7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
- English name
- Vebufloxacin
- Molecular formula
- C19H22FN3O3
- Molecular weight
- 359.4
Names & synonyms
Vebufloxacin79644-90-9vebufloxacinevebufloxacinoSXI3MP1G46OPC-7241Opc 7241vebufloxacinumRefChem:193884(+-)-9-Fluoro-6,7-Dihydro-5-Methyl-8-(4-Methyl-1-Piperazinyl)-1-Oxo-1H, 5H-Benzo(II)Quinolizine-2-Carboxylic AcidVebufloxacin [INN]Flumenique; OPC7241; DM8966
Show more names
DM8966OPC-19AFlumeniqueVebufloxacin USP/EP/BP8-Fluoro-5,6-dihydro-4-methyl-7-(4-methyl-1-piperazinyl)-1-oxo-4H-3a-aza-1H-phenalene-2-carboxylic acid9-Fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-
1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 9-fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-1H,5H-Benzo(ij)quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acidBenofloxacin9-Fluoro-5-methyl-8-(4-methylpiperazin-1-yl)-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acidUNII-SXI3MP1G46VEBUFLOXACIN [JAN]SCHEMBL866602
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Boiling point
- 579.1 · 579.1±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 5.55 · 5.55±0.40(Predicted)
- FDA UNII
- 3 MP1G46 · SXI3MP1G46
Chemistry & industry
Applications
UsesVebufloxacin (Flumenique; OPC7241; DM8966) exhibits potent antibacterial activity against gram-positive and -negative bacteria.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
Related reactions
3 records
Compound notes
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