Thaliracebine

Base Information

• Chemical Name: Thaliracebine
• CAS No.: 67591-63-3
• Molecular Formula: C39H44N2O7
• Molecular Weight: 652.784
• DSSTox Substance ID: DTXSID20217916
• Nikkaji Number: J2.437.867E
• Wikidata: Q83094622
• Mol file: 67591-63-3.mol

Synonyms:Thaliracebine;67591-63-3;1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-9-methoxy-5-((4-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methyl-, (S-(R*,R*))-;DTXSID20217916

Chemical Property of Thaliracebine

Chemical Property:

• Vapor Pressure: 2.71E-21mmHg at 25°C
• Boiling Point: 732.1°C at 760 mmHg
• Flash Point: 178.7°C
• PSA: 71.09000
• Density: 1.209g/cm³
• LogP: 6.66120
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 652.31485175
• Heavy Atom Count: 48
• Complexity: 1010

Purity/Quality:

THALIRACEBINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)CC5C6=CC7=C(C(=C6CCN5C)OC)OCO7)OC)OC
• Isomeric SMILES: CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)C[C@H]5C6=CC7=C(C(=C6CCN5C)OC)OCO7)OC)OC

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