Basic information
- CAS
119474-55-4- Standard SMILES
CN1CCN(C2=C3OCC4=NSC5=C(C(=O)O)C(=O)CC(=C2F)C5C43)CC1.Cl- InChIKey
URZNPRNEDQSWGC-UHFFFAOYSA-N- Molecular formula
- C18H19ClFN3O4S
- Average molar mass
- 427.9 g/mol
- Monoisotopic mass
- 427.0768831
Names & identifiers
- Preferred name
- 9-Fluoro-10-(4-methylpiperazin-1-yl)-6-oxo-12-oxa-3-thia-2-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1,4,8,10-tetraene-5-carboxylic acid;hydrochloride
- IUPAC
- 9-fluoro-10-(4-methylpiperazin-1-yl)-6-oxo-12-oxa-3-thia-2-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1,4,8,10-tetraene-5-carboxylic acid;hydrochloride
- English name
- KB 5246
- Molecular formula
- C18H17ClFN3O4S
- Molecular weight
- 425.86
Names & synonyms
9-Fluoro-10-(4-methylpiperazin-1-yl)-6-oxo-12-oxa-3-thia-2-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1,4,8,10-tetraene-5-carboxylic acid;hydrochlorideDTXSID109229868-Fluoro-9-(4-methylpiperazin-1-yl)-6-oxo-6,7,9b,9c-tetrahydro-2H-benzo[ij]furo[4,3,2-de][2,3]benzothiazine-5-carboxylic acid--hydrogen chloride (1/1)KB 5246KB 5246,KB5246
Database identifiers
- CAS
119474-55-4- PubChem CID
- 197271
- DTXSID
DTXSID10922986
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 898
Physicochemical properties
- Melting point
- 287 °C · 287 °C (decomp)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
Chemistry & industry
Applications
UsesKB-5246 is a tetracyclic quinolone and displays antibacterial activities.
Suppliers7 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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