premafloxacin   Click here for help

GtoPdb Ligand ID: 10848

Synonyms: compound 21 [PMID: 17303420] | U-95376 | U95376
Compound class: Synthetic organic
Comment: Premafloxacin is a fluoroquinolone antibiotic with activity against Gram-positive abd Gram-negactive pathogens [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 83.8
Molecular weight 403.19
XLogP 4.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN[C@H]([C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)C
Isomeric SMILES CN[C@H]([C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)C
InChI InChI=1S/C21H26FN3O4/c1-11(23-2)12-6-7-24(9-12)18-16(22)8-14-17(20(18)29-3)25(13-4-5-13)10-15(19(14)26)21(27)28/h8,10-13,23H,4-7,9H2,1-3H3,(H,27,28)/t11-,12+/m0/s1
InChI Key SUQUWONDIBHQOZ-NWDGAFQWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
7333 premafloxacin
Synonyms Click here for help
compound 21 [PMID: 17303420] | U-95376 | U95376
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 550
Other databases
CAS Registry No. 143383-65-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL230599
GtoPdb PubChem SID 405560289
PubChem CID 71455
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