N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate

Base Information

• Chemical Name: N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate
• CAS No.: 79731-87-6
• Molecular Formula: C27H37BrN2O8
• Molecular Weight: 598.5027

Synonyms:N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate;Ajmalanium, 10-bromo-17,21-dihydroxy-4-propyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1);C23-H32-Br-N2-O2.C4-H5-O6;C23H32BrN2O2.C4H5O6;79731-87-6;NSC 306109;LS-15662

Chemical Property of N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 596.17333
• Heavy Atom Count: 38
• Complexity: 823

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC[N+]12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=C5C=C(C=C6)Br)C)C4O.C(C(C(=O)[O-])O)(C(=O)O)O
• Isomeric SMILES: CCC[N+]12[C@H]3CC([C@@H]([C@H]1O)CC)C4[C@@H]2CC5([C@H]3N(C6=C5C=C(C=C6)Br)C)[C@@H]4O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

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