Xenytropium bromide

Base Information

• Chemical Name: Xenytropium bromide
• CAS No.: 511-55-7
• Molecular Formula: C30H34 N O3 . Br
• Molecular Weight: 536.509
• European Community (EC) Number: 208-129-6
• DSSTox Substance ID: DTXSID50965377
• NCI Thesaurus Code: C90745
• Mol file: 511-55-7.mol

Synonyms:Xenytropium bromide;511-55-7;Dendrepar;Gastripon;Gastropin;p-Biphenylmethyl-(dl-tropyl-alpha-tropinium)bromide;4-Diphenylmethyl-dl-tropyltropinium bromide;Xenytropii bromidum [INN-Latin];C30H34NO3;EINECS 208-129-6;Bromure de xenytropium [INN-French];Bromuro de xenitropio [INN-Spanish];N-(p-Biphenylmethyl)-atropinium bromide;N-399;C30H34BrNO3;C30-H34-N-O3.Br;N,4-Biphenyl-methyl-dl-tropeyl-alpha-tropiniumbromids [German];Xenytropiumbromid;1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-phenylbenzyl)-, bromide, (+-)-tropate;2-Fluoro-propionic?acid;ATROPINIUM, 8-(p-PHENYLBENZYL)-, BROMIDE;DTXSID50965377;LS-22228;[8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide;8-[([1,1'-Biphenyl]-4-yl)methyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide

Chemical Property of Xenytropium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.53000
• Density: g/cm³
• LogP: 2.27570
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 535.17221
• Heavy Atom Count: 35
• Complexity: 646

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5.[Br-]
• Therapeutic Function: Antimuscarinic, Spasmolytic

Technology Process of Xenytropium bromide

There total 3 articles about Xenytropium bromide 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:

→ Xenytropiumbromid (511-55-7)

Guidance literature:

at 130 ℃; Anschliessenden Erhitzen mit wss.Bromwasserstoffsaeure;

Reference yield:

p-phenylbenzyl bromide (2567-29-5) + atropine (51-55-8) → Xenytropiumbromid (511-55-7)

Guidance literature:

With acetone;

Reference yield:

Atropine (51-55-8) + p-phenylbenzyl bromide (2567-29-5) → Xenytropiumbromid (511-55-7) + (8r)-8-(4-Biphenylmethyl)-atropiniumbromid

Guidance literature:

In acetone; for 24h; Yield given. Yields of byproduct given; Ambient temperature;

upstream raw materials:

p-phenylbenzyl bromide

atropine

Atropine

Refernces