PD 138312 hydrochloride

Base Information

• Chemical Name: PD 138312 hydrochloride
• CAS No.: 153566-55-3
• Molecular Formula: C95H121Cl6F5N20O15
• Molecular Weight: 2090.812256
• DSSTox Substance ID: DTXSID30165358
• Mol file: 153566-55-3.mol

Synonyms:PD 138312 hydrochloride;PD138312 hydrochloride;PD138312 HCl;1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-(1-amino-1-methylethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-4-oxo-, hydrochloride (5:6), (R)-;153566-55-3;DTXSID30165358;C19H23FN4O3.6/5ClH;LS-95909;C19-H23-F-N4-O3.6/5Cl-H

Chemical Property of PD 138312 hydrochloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 40
• Rotatable Bond Count: 20
• Exact Mass: 2089.737565
• Heavy Atom Count: 141
• Complexity: 678

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.Cl.Cl.Cl.Cl.Cl.Cl
• Isomeric SMILES: CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N.Cl.Cl.Cl.Cl.Cl.Cl