Menabitan

Base Information

• Chemical Name: Menabitan
• CAS No.: 83784-21-8
• Molecular Formula: C₃₇H₅₆N₂O₃
• Molecular Weight: 576.863
• UNII: 967H1G7V3P
• DSSTox Substance ID: DTXSID701003840
• Wikipedia: Menabitan
• Wikidata: Q6816337
• NCI Thesaurus Code: C87590
• ChEMBL ID: CHEMBL2110875
• Mol file: 83784-21-8.mol

Synonyms:MENABITAN;Menabitan [INN];83784-21-8;UNII-967H1G7V3P;967H1G7V3P;[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate;CHEMBL2110875;SCHEMBL11718289;DTXSID701003840;Q6816337;(+/-)-8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL .ALPHA.,2-DIMETHYL-1-PIPERIDINEBUTYRATE;1-PIPERIDINEBUTANOIC ACID, .ALPHA.,2-DIMETHYL-, 8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL ESTER, (+/-)-

Chemical Property of Menabitan

Chemical Property:

• PSA: 42.01000
• LogP: 7.95180
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 576.42909365
• Heavy Atom Count: 42
• Complexity: 979

Purity/Quality:

99.8% ^*data from raw suppliers

MENABITAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)C(C)CCN4CCCCC4C
• Uses: Analgesic.

Technology Process of Menabitan

There total 1 articles about Menabitan 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:

→ 2-methyl-4-(2-methyl-piperidin-1-yl)-butyric acid 8-(1,2-dimethyl-heptyl)-5,5-dimethyl-2-prop-2-ynyl-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-yl ester (83784-21-8)

Guidance literature:

/BRN= 229396/ (2), /BRN= 15540/, DCC;

DOI:10.1021/jm00226a002

Refernces

• 1、 -. "Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication". . . Retrieved 2008/06/13.