Cepharanoline

Base Information

• Chemical Name: Cepharanoline
• CAS No.: 27686-34-6
• Molecular Formula: C36H36 N2 O6
• Molecular Weight: 592.68
• DSSTox Substance ID: DTXSID201045590
• Nikkaji Number: J533.630I
• Wikipedia: Cepharanoline
• Wikidata: Q15410889
• Metabolomics Workbench ID: 139134
• ChEMBL ID: CHEMBL496044

Synonyms:Cepharanoline;27686-34-6;(14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-30-methoxy-1,14-dimethyl-1H-4,6:16,19-dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2 inverted exclamation marka,3 inverted exclamation marka:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol;CHEMBL496044;DTXSID201045590;Q15410889

Chemical Property of Cepharanoline

Chemical Property:

• PSA: 72.86000
• Density: 1.264±0.06 g/cm3(Predicted)
• LogP: 6.44670
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 592.25733687
• Heavy Atom Count: 44
• Complexity: 978

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)O)OCO3
• Isomeric SMILES: CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)O)OCO3

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