dicycloverine

Base Information

• Chemical Name: dicycloverine
• CAS No.: 77-19-0
• Deprecated CAS: 104959-55-9,856995-49-8
• Molecular Formula: C19H35 N O2
• Molecular Weight: 309.492
• European Community (EC) Number: 201-009-4
• NSC Number: 404381
• UNII: 4KV4X8IF6V
• DSSTox Substance ID: DTXSID1022926
• Nikkaji Number: J4.195E
• Wikipedia: Dicycloverine
• Wikidata: Q2662662
• NCI Thesaurus Code: C61720
• RXCUI: 3361
• Pharos Ligand ID: MT85ZCAMTZY5
• Metabolomics Workbench ID: 43095
• ChEMBL ID: CHEMBL1123
• Mol file: 77-19-0.mol

Synonyms:[Bicyclohexyl]-1-carboxylicacid, 2-(diethylamino)ethyl ester (6CI,7CI,8CI); Bentyl; Bentylol; Dicyclomine;Dicycloverin; Dicycloverine; Diocyl; Wyovin

Chemical Property of dicycloverine

Chemical Property:

• Boiling Point: 142-143 °C(Press: 0.5 Torr)
• PKA: 9.24±0.25(Predicted)
• PSA: 29.54000
• Density: 0.990±0.06 g/cm3(Predicted)
• LogP: 4.40220
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 309.266779359
• Heavy Atom Count: 22
• Complexity: 326

Purity/Quality:

99.9% ^*data from raw suppliers

DICYCLOMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Drug Classes: Anticholinergic Agents
• Canonical SMILES: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
• Uses: Anticholinergic.
• Therapeutic Function: Spasmolytic

Technology Process of dicycloverine

There total 7 articles about dicycloverine 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:

→ Dicyclomine (77-19-0,856995-49-8)

Guidance literature:

With acetic acid; platinum; at 70 - 80 ℃; Hydrogenation;

DOI:10.1021/ja01203a077

Reference yield:

ethanol (64-17-5) → Dicyclomine (77-19-0,856995-49-8)

Guidance literature:

With sulfuric acid; Erhitzen des Reaktionsprodukts mit 2-Diaethylamino-aethanol-⁽¹⁾ und Natrium in Xylol auf 140-150grad;

DOI:10.1021/ja01203a077

Reference yield:

1-cyclohexylcyclohexane-1-carboxylic acid (60263-54-9) → Dicyclomine (77-19-0,856995-49-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄; CCl₄

With tetrachloromethane; sulfuric acid;

upstream raw materials:

sodium 2-(diethylamino)ethanolate

(1-chloro-cyclohexyl)-cyclohexyl ketone

diethylamine

bicyclohexyl-1-carbonyl chloride