3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate

Base Information

• Chemical Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate
• CAS No.: 130548-45-7
• Molecular Formula: C19H26FN3O6S
• Molecular Weight: 443.4896
• DSSTox Substance ID: DTXSID60156618
• ChEMBL ID: CHEMBL122793
• Mol file: 130548-45-7.mol

Synonyms:130548-45-7;3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate;CHEMBL122793;DTXSID60156618;C18H22FN3O3.CH4O3S.2H2O;LS-141537;C18-H22-F-N3-O3.C-H4-O3-S.2H2-O

Chemical Property of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate

Chemical Property:

• Vapor Pressure: 1.03E-12mmHg at 25°C
• Boiling Point: 545.1°Cat760mmHg
• Flash Point: 283.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 443.15263489
• Heavy Atom Count: 30
• Complexity: 693

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)N)F)C(=O)O.CS(=O)(=O)O
• Isomeric SMILES: CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC[C@@H](C3)N)F)C(=O)O.CS(=O)(=O)O