1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:2), (S)-

Base Information

• Chemical Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:2), (S)-
• CAS No.: 138668-58-3
• Molecular Formula: C20H18ClF3N4O3
• Molecular Weight: 454.8301
• DSSTox Substance ID: DTXSID00160754
• Mol file: 138668-58-3.mol

Synonyms:1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:2), (S)-;138668-58-3;SCHEMBL10440904;DTXSID00160754;C20H17F3N4O3.ClH.2H2O;LS-95916;C20-H17-F3-N4-O3.Cl-H.2H2-O

Chemical Property of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:2), (S)-

Chemical Property:

• Vapor Pressure: 2.26E-18mmHg at 25°C
• Boiling Point: 661°Cat760mmHg
• Flash Point: 353.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 454.1019526
• Heavy Atom Count: 31
• Complexity: 738

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CCC(C3)N)C4=C(C=C(C=C4)F)F)C(=O)O.Cl
• Isomeric SMILES: CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)C4=C(C=C(C=C4)F)F)C(=O)O.Cl