Tiquizium bromide

Base Information

• Chemical Name: Tiquizium bromide
• CAS No.: 71731-58-3
• Molecular Formula: Br*C₁₉H₂₄NS₂
• Molecular Weight: 410.442
• Hs Code.: 2934999090
• UNII: 659K6049SF
• DSSTox Substance ID: DTXSID2046757
• Wikidata: Q27263861
• NCI Thesaurus Code: C90744
• ChEMBL ID: CHEMBL2360047
• Mol file: 71731-58-3.mol

Synonyms:3-(di-2-thienylmethylene)-5-methyl-trans-quinolizidinium bromide;HSR 902;HSR-902;thiaton;tiquizium bromide

Chemical Property of Tiquizium bromide

Chemical Property:

• Melting Point: 278-281° (dec)
• PSA: 56.48000
• LogP: 2.36720
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 409.05335
• Heavy Atom Count: 23
• Complexity: 429

Purity/Quality:

99% ^*data from raw suppliers

TiquiziumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]12CCCCC1CCC(=C(C3=CC=CS3)C4=CC=CS4)C2.[Br-]
• Isomeric SMILES: C[N@+]12CCCC[C@@H]1CCC(=C(C3=CC=CS3)C4=CC=CS4)C2.[Br-]
• Description: Tiquizium bromide is an anticholinergic agent useful in the treatment of various gastrointestinal syndromes including irritable colon.
• Uses: Tiquizium Bromide is a antimuscarinic agent that was used on airway smooth muscle in vitro and in patients with chronic obstructive pulmonary disease.

Technology Process of Tiquizium bromide

There total 5 articles about Tiquizium 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:

((9ar)-octahydro-quinolizin-3c-yl)-di-thiophen-2-yl-methanol (71731-54-9,71731-55-0,72730-71-3) → tiquizium bromide (69664-12-6,71731-58-3,71731-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / ethanol

2: methanol

With hydrogenchloride; In methanol; ethanol;

DOI:10.1248/cpb.27.1454

Reference yield:

3-(di-thiophen-2-yl-methylene)-octahydro-quinolizine (69664-10-4) + methyl bromide (74-83-9) → tiquizium bromide (69664-12-6,71731-58-3,71731-59-4)

Guidance literature:

In methanol;

DOI:10.1248/cpb.27.1454

Reference yield:

3-(di-thiophen-2-yl-methylene)-octahydro-quinolizine (69664-10-4) + methyl bromide (74-83-9) → tiquizium bromide (69664-12-6,71731-58-3,71731-59-4) + 3-(di-thiophen-2-yl-methylene)-5c-methyl-(9ar)-octahydro-quinolizinium; bromide (69664-12-6,71731-58-3,71731-59-4)

Guidance literature:

In methanol;

DOI:10.1248/cpb.27.1454

upstream raw materials:

3-(di-thiophen-2-yl-methylene)-octahydro-quinolizine

methyl bromide

((9ar)-octahydro-quinolizin-3c-yl)-di-thiophen-2-yl-methanol