Neospiramycin

Base Information

• Chemical Name: Neospiramycin
• CAS No.: 102418-06-4
• Molecular Formula: C36H62N2O11
• Molecular Weight: 698.88428
• DSSTox Substance ID: DTXSID001016175
• Nikkaji Number: J816.640D
• Mol file: 102418-06-4.mol

Synonyms:neospiramycin

Chemical Property of Neospiramycin

Chemical Property:

• Vapor Pressure: 1.89E-31mmHg at 25°C
• Boiling Point: 823.6°C at 760 mmHg
• Flash Point: 451.9°C
• PSA: 156.69000
• Density: 1.18g/cm³
• LogP: 2.05400
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 698.43536080
• Heavy Atom Count: 49
• Complexity: 1070

Purity/Quality:

99% ^*data from raw suppliers

NEOSPIRAMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)OC3CCC(C(O3)C)N(C)C
• Isomeric SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)O[C@H]3CC[C@@H]([C@H](O3)C)N(C)C
• Uses: Neospiramycin is used in maternal serum and amniotic fluid during treatment of toxoplasmosis in pregnancy. Also, used as screening of antibiotics in milk by 5-plate test STAR.