3-Desacetylvecuronium

Base Information

• Chemical Name: 3-Desacetylvecuronium
• CAS No.: 74041-85-3
• Molecular Formula: C32H55 N2 O3
• Molecular Weight: 515.797
• UNII: 7GJT8823H1
• Nikkaji Number: J468.184C
• Wikidata: Q27268251
• Mol file: 74041-85-3.mol

Synonyms:3-deacetylvecuronium;3-deacetylvecuronium bromide, (2beta,3alpha,5alpha,16beta,17beta)-isomer;3-desacetylvecuronium;3-hydroxyvecuronium;Org 7268;Org-7268

Chemical Property of 3-Desacetylvecuronium

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 515.42126862
• Heavy Atom Count: 37
• Complexity: 851

Purity/Quality:

99% ^*data from raw suppliers

3-DESACETYLVECURONIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCCCC5)C)C)[N+]6(CCCCC6)C
• Isomeric SMILES: CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCCCC5)C)C)[N+]6(CCCCC6)C