Belladonna total alkaloids

Base Information

• Chemical Name: Belladonna total alkaloids
• CAS No.: 510-25-8
• Molecular Formula: C₃₄H₄₂N₂O₄
• Molecular Weight: 542.718
• European Community (EC) Number: 227-550-6
• DSSTox Substance ID: DTXSID10965277
• Nikkaji Number: J218.118E
• Wikipedia: Belladonnine
• Wikidata: Q110080504
• ChEMBL ID: CHEMBL3187149
• Mol file: 510-25-8.mol

Synonyms:BELLADONNA TOTAL ALKALOIDS;beta-Belladonnine;Belladonnine sulfate;510-25-8;NSC100797;C34H42N2O4;C34-H42-N2-O4;SCHEMBL6437603;CHEMBL3187149;DTXSID10965277;5878-33-1;STK663541;NCGC00160302-01;bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;NCGC00160302-01!BELLADONNINE;FT-0622610;bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-phenyltetralin-1,4-dicarboxylate;1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester;bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1-phenyl-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate;Sulfuric acid compound with bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate (1:1)

Chemical Property of Belladonna total alkaloids

Chemical Property:

• Melting Point: 129°
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 59.08000
• Density: 1.24g/cm³
• LogP: 5.32440
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 542.31445783
• Heavy Atom Count: 40
• Complexity: 922

Purity/Quality:

98%Min ^*data from raw suppliers

BELLADONNINE SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C

Technology Process of Belladonna total alkaloids

There total 16 articles about Belladonna total alkaloids 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:

(1R,3r,5S)-3-tropoyloxytropanium sulfate (55-48-1,300-40-3,620-61-1,1867-24-9,2472-17-5,2623-69-0,14844-27-0,5908-99-6) → tropinone (532-24-1) + β-Belladonnin (510-25-8,5878-33-1,6696-63-5,23852-32-6) + α-Belladonnin (510-25-8,5878-33-1,6696-63-5,23852-32-6) + 3-tropanol (120-29-6) + pseudotropine (135-97-7) + apoatropine (500-55-0)

Guidance literature:

In water; for 720h; Irradiation; decomposition in aq. solution; stability after storage in glass and polyethylene containers under various conditions (pH-value, temp., oxidative effects, irradiation);

Reference yield:

(1R,3r,5S)-3-tropoyloxytropanium sulfate (55-48-1,300-40-3,620-61-1,1867-24-9,2472-17-5,2623-69-0,14844-27-0,5908-99-6) → tropinone (532-24-1) + β-Belladonnin (510-25-8,5878-33-1,6696-63-5,23852-32-6) + α-Belladonnin (510-25-8,5878-33-1,6696-63-5,23852-32-6) + 3-tropanol (120-29-6) + pseudotropine (135-97-7) + apoatropine (500-55-0)

Guidance literature:

In water; for 720h; Irradiation; decomposition in aq. solution; stability after storage in glass and polyethylene containers under various conditions (pH-value, temp., oxidative effects, irradiation);

Reference yield:

(+/-)-1-phenyl-1,2,3,4-tetrahydro-naphthalene-1r,4t-dicarbonyl chloride (101716-26-1) + tropine hydrochloride (2292-08-2) → (+/-)-1-phenyl-1,2,3,4-tetrahydro-naphthalene-1r,4t-dicarboxylic acid di-tropane-3endo-yl ester (510-25-8,5878-33-1,6696-63-5,23852-32-6)

Guidance literature:

DOI:10.1002/ardp.19592921109

upstream raw materials:

atropine sulphate

tropine hydrochloride

2-phenyl-acrylic acid tropan-3-yl ester

Atropine

Downstream raw materials:

3exo-bromo-tropane

2-phenylacrylic acid

Tropanol

Refernces

• 1、 Jira,Pohloudek-Fabini. "Analysis and stability of atropine sulfate and scopolamine hydrobromide. 1. Qualitative detection of alkaloids in the presence of their decomposition products. 73. Contribution to the problem of the use of plastic receptacles for liquid pharmaceuticals". . p. 645 - 649. Retrieved 2007/10/02.