Alatrofloxacin mesylateProduct ingredient for Alatrofloxacin
- Name
- Alatrofloxacin mesylate
- Drug Entry
- Alatrofloxacin
Alatrofloxacin is a fluoroquinolone antibiotic developed by Pfizer, delivered as a mesylate salt. It was withdrawn from the U.S. market in 2001.
- Accession Number
- DBSALT001331
- Structure
- Synonyms
- Alatrofloxacin mesilate
- External IDs
- 517-27 / CP-116 / CP-116,517-27 / CP-11651727
- UNII
- 2IXX802851
- CAS Number
- 157605-25-9
- Weight
- Average: 654.62
Monoisotopic: 654.171967581 - Chemical Formula
- C27H29F3N6O8S
- InChI Key
- CYETUYYEVKNSHZ-LGOOQLFJSA-N
- InChI
- InChI=1S/C26H25F3N6O5.CH4O3S/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28;1-5(2,3)4/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40);1H3,(H,2,3,4)/t10-,11-,14-,15+,20+;/m0./s1
- IUPAC Name
- 7-[(1R,5S,6S)-6-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O
- External Links
- ChemSpider
- 10482292
- ChEMBL
- CHEMBL1200498
- Wikipedia
- Alatrofloxacin
- Predicted Properties
Property Value Source Water Solubility 0.0388 mg/mL ALOGPS logP 0.65 ALOGPS logP -0.83 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 5.41 Chemaxon pKa (Strongest Basic) 8.09 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 157.96 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 135.64 m3·mol-1 Chemaxon Polarizability 52.84 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon