Ajmalinium p-toluenesulfonate

Base Information

• Chemical Name: Ajmalinium p-toluenesulfonate
• CAS No.: 168700-00-3
• Molecular Formula: C27H34N2O5S
• Molecular Weight: 498.6343

Synonyms:Ajmaline, p-toluenesulfonate;Ajmalinium p-toluenesulfonate;(17R,21-alpha)-Ajmalan-17,21-diol mono(4-methylbenzenesulfonate) (salt);Ajmalan, 17,21-dihydroxy-, 4-methylbenzenesulfonate, (17R,21-alpha)-;Ajmalan-17,21-diol, (17R,21-alpha)-, mono(4-methylbenzenesulfonate) (salt);LS-15638

Chemical Property of Ajmalinium p-toluenesulfonate

Chemical Property:

• Vapor Pressure: 1.29E-11mmHg at 25°C
• Boiling Point: 519.4°Cat760mmHg
• Flash Point: 285.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 498.21884336
• Heavy Atom Count: 35
• Complexity: 776

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C.CC1=CC=C(C=C1)S(=O)(=O)O
• Isomeric SMILES: CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)O.CC1=CC=C(C=C1)S(=O)(=O)O

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