Carnegine hydrochloride, (S)-

Base Information

• Chemical Name: Carnegine hydrochloride, (S)-
• CAS No.: 65140-22-9
• Molecular Formula: C₁₃H₁₉NO₂*ClH
• Molecular Weight: 257.76
• UNII: NRH3531R31
• ChEMBL ID: CHEMBL454315
• Mol file: 65140-22-9.mol

Synonyms:Carnegine hydrochloride, (S)-;65140-22-9;(-)-Carnegine hydrochloride;NRH3531R31;UNII-NRH3531R31;CARNEGINE HCl;(1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline;hydrochloride;Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (1:1), (1S)-;Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride, (S)-;CHEMBL454315;AKOS004902027

Chemical Property of Carnegine hydrochloride, (S)-

Chemical Property:

• Melting Point: 203 °C(Solv: ethanol (64-17-5))
• PSA: 21.70000
• LogP: 2.99260
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 257.1182566
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

N-Methylsalsodine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC(=C(C=C2CCN1C)OC)OC.Cl
• Isomeric SMILES: C[C@H]1C2=CC(=C(C=C2CCN1C)OC)OC.Cl

Technology Process of Carnegine hydrochloride, (S)-

There total 1 articles about Carnegine hydrochloride, (S)- 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (-)-Salsolidine hydrochloride (883-87-4) → (S)-(+)-Carnegine hydrochloride (65140-22-9,6266-98-4)

Guidance literature:

With hydrogen; nickel; In methanol; water; for 5h; under 2585.7 Torr; Ambient temperature;

DOI:10.1021/jm00163a025

upstream raw materials:

formaldehyd

(-)-Salsolidine hydrochloride