Acrinor

Base Information

• Chemical Name: Acrinor
• CAS No.: 8004-31-7
• Molecular Formula: C35H44N10O8
• Molecular Weight: 805.7079
• DSSTox Substance ID: DTXSID401000930
• Mol file: 8004-31-7.mol

Synonyms:acrinor;Akrinor;cafedrine - theodrenaline;cafedrine, theodrenaline drug combination;H-835;praxinor

Chemical Property of Acrinor

Chemical Property:

• Vapor Pressure: 5.61E-22mmHg at 25°C
• Boiling Point: 723.6°Cat760mmHg
• Flash Point: 391.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 804.2877139
• Heavy Atom Count: 55
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O.Cl.Cl
• Isomeric SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O.Cl.Cl