Deserpidine

Base Information

• Chemical Name: Deserpidine
• CAS No.: 131-01-1
• Molecular Formula: C32H38 N2 O8
• Molecular Weight: 578.662
• European Community (EC) Number: 205-004-8
• NSC Number: 72138
• UNII: 9016E3VB47
• DSSTox Substance ID: DTXSID8020383
• Nikkaji Number: J10.010B
• Wikipedia: Deserpidine
• Wikidata: Q5263885
• NCI Thesaurus Code: C61699
• Pharos Ligand ID: LS7KKZTB4AX3
• Metabolomics Workbench ID: 43321
• ChEMBL ID: CHEMBL1200515
• Mol file: 131-01-1.mol

Synonyms:deserpidine

Chemical Property of Deserpidine

Chemical Property:

• Appearance/Colour: white crystal powder
• Melting Point: ~275°C (dec.)(lit.)
• Refractive Index: 1.6260 (estimate)
• Boiling Point: 676.1 °C at 760 mmHg
• Flash Point: 362.7 °C
• PSA: 108.55000
• Density: 1.32 g/cm³
• LogP: 4.10040
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 578.26281617
• Heavy Atom Count: 42
• Complexity: 953

Purity/Quality:

99% ^*data from raw suppliers

Deserpidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
• Isomeric SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
• Uses: Deserpidine is found and extracted fromthe roots of Rauwolfia canescens L., andApocyanaceae. Therapeutically, it is used asan antihypertensive agent. Deserpidine, is an antihypertensive drug related to Reserpine (R144600). It is naturally found in Rauvolfia spp.
• Therapeutic Function: Antihypertensive

Technology Process of Deserpidine

There total 11 articles about Deserpidine 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: 91.0%

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) + methyl deserpidate (54290-61-8) → deserpidine (131-01-1)

Guidance literature:

With pyridine; In benzene; at 5 ℃; for 120h;

DOI:10.1021/np050179x

Reference yield:

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → deserpidine (131-01-1)

Guidance literature:

With pyridine;

DOI:10.1021/ja01620a035 DOI:10.1021/ja01621a046

Reference yield:

tryptamine (61-54-1) → deserpidine (131-01-1)

Guidance literature:

ueber 7 Stufen;

upstream raw materials:

tryptamine

3,4,5-Trimethoxybenzoyl chloride

methyl deserpidate

Refernces

• 1、 -. "Process for the Semisynthesis of Deserpidine". Page/Page column 4. . Retrieved 2008/12/07.
• 2、 -. "A PROCESS FOR THE SEMISYNTHESIS OF DESERPIDINE". Page/Page column 10-11. . Retrieved 2010/02/14.