3-(2,4,6-Trimethylbenzylpiperazinyl)rifamycin SV

Base Information

• Chemical Name: 3-(2,4,6-Trimethylbenzylpiperazinyl)rifamycin SV
• CAS No.: 122188-44-7
• Molecular Formula: C₅₁H₆₇N₃O₁₂
• Molecular Weight: 914.0906
• Mol file: 122188-44-7.mol

Synonyms:CGP 7040;CGP-7040

Chemical Property of 3-(2,4,6-Trimethylbenzylpiperazinyl)rifamycin SV

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1035.7°Cat760mmHg
• Flash Point: 580.2°C
• Density: 1.32g/cm³
• XLogP3: 8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 913.47247458
• Heavy Atom Count: 66
• Complexity: 1770

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2N5CCN(CC5)CC6=C(C=C(C=C6C)C)C)O)O)C
• Isomeric SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@H]([C@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2N5CCN(CC5)CC6=C(C=C(C=C6C)C)C)O)O)/C