N,N-Dimethyladriamycin

Base Information

• Chemical Name: N,N-Dimethyladriamycin
• CAS No.: 94730-44-6
• Deprecated CAS: 83310-79-6,94730-44-6,99759-64-5
• Molecular Formula: C29H33NO11
• Molecular Weight: 571.57
• DSSTox Substance ID: DTXSID60915343
• Mol file: 94730-44-6.mol

Synonyms:N,N-dimethyladriamycin;N,N-dimethyldoxorubicin;N,N-dimethyldoxorubicin hydrochloride, (8S-cis)-isomer;N,N-dimethyldoxorubicin monohydrochloride

Chemical Property of N,N-Dimethyladriamycin

Chemical Property:

• Vapor Pressure: 4.42E-27mmHg at 25°C
• Refractive Index: 1.683
• Boiling Point: 801.1 °C at 760 mmHg
• Flash Point: 438.3 °C
• Density: 1.53 g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 571.20536087
• Heavy Atom Count: 41
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)C)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)C)O