Synonyms: A-195773 | Abbott-195773 | ABT-773 | ABT773 | Restanza®
Comment: Cethromycin is an orally bioavailable ketolide antibacterial that is structurally related to erythromycin. It was developed by Abbott Laboratories for potential to treat respiratory infections, including community acquired pneumonia (CAP) and for the prevention of post-exposure inhalational anthrax [ 1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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13
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Hydrogen bond donors
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2
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Rotatable bonds
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8
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Topological polar surface area
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162.82
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Molecular weight
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765.42
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XLogP
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3.52
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No. Lipinski's rules broken
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1
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SMILES / InChI / InChIKey
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Canonical SMILES
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CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2)C)C)(C)OC/C=C/c1cnc2c(c1)cccc2
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Isomeric SMILES
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CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2)C)C)(C)OC/C=C/c1cnc2c(c1)cccc2
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InChI
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InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
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InChI Key
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PENDGIOBPJLVBT-ONLVEXIXSA-N
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