Androstane, piperidinium deriv.

Base Information

• Chemical Name: Androstane, piperidinium deriv.
• CAS No.: 16974-53-1
• Molecular Formula: C35H60N2O4+2
• Molecular Weight: 572.8619
• DSSTox Substance ID: DTXSID7048405
• Mol file: 16974-53-1.mol

Synonyms:Androstane, piperidinium deriv.;Piperidinium, 1,1-[(2b,3a,5a,16b,17b)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl- (9CI)

Chemical Property of Androstane, piperidinium deriv.

Chemical Property:

• PSA: 52.60000
• LogP: 6.02810
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 572.45530840
• Heavy Atom Count: 41
• 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(C5OC(=O)C)[N+]6(CCCCC6)C)C
• Isomeric SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([C@@H]([C@]4(CCC3[C@]2(C[C@@H]1[N+]5(CCCCC5)C)C)C)OC(=O)C)[N+]6(CCCCC6)C

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