Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide

Base Information

• Chemical Name: Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide
• CAS No.: 114967-76-9
• Molecular Formula: C₂₂H₄₀NO*I
• Molecular Weight: 461.47
• DSSTox Substance ID: DTXSID40921563
• Mol file: 114967-76-9.mol

Synonyms:Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide;Androstan-17-aminium, 3-hydroxy-N,N,N-trimethyl-, iodide, (3-beta,5-alpha,17-beta)-;114967-76-9;C22H40NO.I;DTXSID40921563;C22-H40-N-O.I;LS-19348;3-Hydroxy-N,N,N-trimethylandrostan-17-aminium iodide

Chemical Property of Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 461.21546
• Heavy Atom Count: 25
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4[N+](C)(C)C)C)O.[I-]
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+](C)(C)C)C)O.[I-]

Technology Process of Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide

There total 1 articles about Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 57.0%

3β-Hydroxy-17β-(N,N-dimethylamino)-5α-androstane hydrochloride + methyl iodide (74-88-4) → N-(3β-Hydroxy-5α-androstan-17β-yl)-N,N,N-trimethylammonium iodide (114967-76-9)

Guidance literature:

In diethyl ether; at 20 ℃; for 12h;

DOI:10.1007/BF00758270

upstream raw materials:

methyl iodide