Piperidinium, 1,1'-((2-beta,3-alpha,5-alpha,16-beta,17-beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide

Base Information

• Chemical Name: Piperidinium, 1,1'-((2-beta,3-alpha,5-alpha,16-beta,17-beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide
• CAS No.: 50588-13-1
• Molecular Formula: C35H60N2O4•2Br
• Molecular Weight: 732.79
• DSSTox Substance ID: DTXSID20964812
• Mol file: 50588-13-1.mol

Synonyms:50588-13-1;Piperidinium, 1,1'-((2-beta,3-alpha,5-alpha,16-beta,17-beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide;DTXSID20964812;LS-116344;1,1'-((1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-2,7-Diacetoxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,8-diyl)bis(1-methylpiperidinium) dibromide

Chemical Property of Piperidinium, 1,1'-((2-beta,3-alpha,5-alpha,16-beta,17-beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 52.60000
• Density: g/cm³
• LogP: 0.03610
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 732.28993
• Heavy Atom Count: 43
• Complexity: 1000

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5[N+]6(CCCCC6)C)OC(=O)C)C.[Br-].[Br-]
• Isomeric SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5[N+]6(CCCCC6)C)OC(=O)C)C.[Br-].[Br-]