Pycnamine

Base Information

• Chemical Name: Pycnamine
• CAS No.: 569-16-4
• Molecular Formula: C₃₇H₄₀N₂O₆
• Molecular Weight: 608.734
• DSSTox Substance ID: DTXSID901098669
• Nikkaji Number: J563.882H
• Wikidata: Q27108128
• ChEMBL ID: CHEMBL507540
• Mol file: 569-16-4.mol

Synonyms:(+)-berbamine;16h-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, (4aS,16aR)-;16h-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, (4aS-(4aR*,16aS*))-;16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, hydrochloride (1:2), (4aS,16aR)-;16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, hydrochloride, hydrate (1:1:4), (4aS,16aR)-;6,6',7-trimethoxy-2,2'-dimethylberbaman-12-ol;berbaman-12-ol, 6,6',7-trimethoxy-2,2'-dimethyl-;berbaman-12-ol, 6,6',7-trimethoxy-2,2'-dimethyl-, dihydrochloride;berbamine;berbamine dihydrochloride;berbamine hydrochloride;berbamine hydrochloride tetrahydrate;berbamine monohydrochloride;berbamine, (+);berbamine, (1'beta)-isomer;berbamine, (1beta)-isomer;berbamine, monohydrochloride, tetrahydrate;D-berbamine;penduline;pycnamine

Chemical Property of Pycnamine

Chemical Property:

• Boiling Point: 707°Cat760mmHg
• Flash Point: 381.4°C
• PSA: 72.86000
• Density: 1.204g/cm³
• LogP: 6.73520
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 608.28863700
• Heavy Atom Count: 45
• Complexity: 963

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
• Isomeric SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC

Technology Process of Pycnamine

There total 1 articles about Pycnamine 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:

→ berbamine (478-61-5,569-16-4,26137-45-1,64665-35-6)

Guidance literature:

Reference yield: 25.0%

berbamine (478-61-5,569-16-4,26137-45-1,64665-35-6) → (+)-penduline (26137-45-1)

Guidance literature:

With methanol; oxygen; at 40 ℃; for 24h; Product distribution; Mechanism; other bisbenzylisoquinoline alkaloids;

DOI:10.3987/COM-95-7155

Reference yield:

berbamine (478-61-5,569-16-4,26137-45-1,64665-35-6) → berbamine dihydrochloride (6078-17-7,26137-46-2,69475-26-9)

Guidance literature:

With hydrogenchloride; In water; for 0.5h; pH=1.5 - 3.5;

Downstream raw materials:

(+)-penduline

berbamine dihydrochloride

C₄₇H₅₁N₃O₇