Alatrofloxacin mesylate

Base Information

• Chemical Name: Alatrofloxacin mesylate
• CAS No.: 146961-77-5
• Deprecated CAS: 157605-25-9
• Molecular Formula: C26H25F3N6O5 . CH4O3S
• Molecular Weight: 654.62
• UNII: 2IXX802851
• DSSTox Substance ID: DTXSID2057655
• Wikipedia: Alatrofloxacin
• NCI Thesaurus Code: C65217
• ChEMBL ID: CHEMBL1200498
• Mol file: 146961-77-5.mol

Synonyms:alatrofloxacin;alatrofloxacin mesylate;CP 116,517;CP 116517;CP-116,517;CP-116517;Trovan

Chemical Property of Alatrofloxacin mesylate

Chemical Property:

• PSA: 222.40000
• LogP: 3.03580
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 654.17196756
• Heavy Atom Count: 45
• Complexity: 1180

Purity/Quality:

99% ^*data from raw suppliers

Alatrofloxacin mesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(C)C(=O)NC1C2C1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F)N.CS(=O)(=O)O
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)NC1[C@H]2[C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F)N.CS(=O)(=O)O
• Uses: Alatrofloxacin Mesylate is the parental prodrug of Trovafloxacin (T893000), on phagocytic, anti-inflammatory and immunomodulation events of human THP-1 monocytes. The parental prodrug of Trovafloxacin (T893000), on phagocytic, anti-inflammatory and immunomodulation events of human THP-1 monocytes.
• Therapeutic Function: Antibacterial