Mefeserpine

Base Information

• Chemical Name: Mefeserpine
• CAS No.: 3735-85-1
• Deprecated CAS: 1935-28-0,485319-96-8
• Molecular Formula: C₃₂H₃₈N₂O₈
• Molecular Weight: 578.662
• UNII: 42EL4L295A
• DSSTox Substance ID: DTXSID0046721
• Nikkaji Number: J2.390.082C
• Wikidata: Q27258538
• NCI Thesaurus Code: C87628
• ChEMBL ID: CHEMBL3184846
• Mol file: 3735-85-1.mol

Synonyms:Mefeserpine;Methoxyphenoserpine;Mefeserpine [INN];3735-85-1;Mefeserpina;Mefeserpinum;UNII-42EL4L295A;DTXSID0046721;42EL4L295A;Methyl 18-O-((p-methoxyphenoxy)acetyl)reserpat;methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[2-(4-methoxyphenoxy)acetyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;Methyl reserpate ester of (p-methoxyphenoxy)acetic acid;NCGC00167569-01;METHOXYFENOSERPIN;Reserpic acid, methyl ester, (p-methoxyphenoxy)acetate;SCHEMBL2108072;CHEMBL3184846;DTXCID8026721;Tox21_112564;AKOS040752987;CAS-3735-85-1;Q27258538;3.beta.,20.alpha.-Yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, (p-methoxyphenoxy)acetate (ester);3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, (p-methoxyphenoxy)acetate (ester);Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(((4-methoxyphenoxy)acetyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-;Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(4-methoxyphenoxy)acetyl]oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-

Chemical Property of Mefeserpine

Chemical Property:

• Vapor Pressure: 5.27E-20mmHg at 25°C
• Melting Point: 216-218 °C(Solv: acetone (67-64-1); ethyl ether (60-29-7))
• Refractive Index: 1.625
• Boiling Point: 710°Cat760mmHg
• PKA: 18.11±0.70(Predicted)
• Flash Point: 383.2°C
• PSA: 108.55000
• Density: 1.32g/cm³
• LogP: 3.85700
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 578.26281617
• Heavy Atom Count: 42
• Complexity: 944

Purity/Quality:

99% ^*data from raw suppliers

MEFESERPINE 95.00% ^*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=C4C=CC(=C5)OC)OC(=O)COC6=CC=C(C=C6)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=C4C=CC(=C5)OC)OC(=O)COC6=CC=C(C=C6)OC

Technology Process of Mefeserpine

There total 1 articles about Mefeserpine 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:

→ methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-(2-(4-methoxyphenoxy)acetoxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2’,3’:3,4]pyrido[1,2-b]isoquinoline-1-carboxylate (3735-85-1)

Guidance literature:

(-)-Methylreserpinat, MeO-C6H4O-CH2-COCl;