9-O-Demethylhomolycorine

Base Information

• Chemical Name: 9-O-Demethylhomolycorine
• CAS No.: 6879-81-8
• Molecular Formula: C17H19NO4
• Molecular Weight: 301.3371
• NSC Number: 683872
• DSSTox Substance ID: DTXSID90988500
• Nikkaji Number: J406.762B
• Wikidata: Q27114182
• Metabolomics Workbench ID: 125936
• ChEMBL ID: CHEMBL1979251

Synonyms:9-O-Demethylhomolycorine;6879-81-8;CHEBI:31154;(5aR,11bS,11cS)-9-hydroxy-10-methoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one;Lycorenan-7-one, 9-hydroxy-10-methoxy-1-methyl-;9-hydroxy-10-methoxy-1-methyllycorenan-7-one;C12190;CHEMBL1979251;DTXSID90988500;NSC683872;NSC-683872;NCI60_030153;Q27114182

Chemical Property of 9-O-Demethylhomolycorine

Chemical Property:

• Vapor Pressure: 1.85E-11mmHg at 25°C
• Boiling Point: 520.6°C at 760 mmHg
• Flash Point: 268.7°C
• PSA: 59.00000
• Density: 1.36g/cm³
• LogP: 1.99550
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 301.13140809
• Heavy Atom Count: 22
• Complexity: 505

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(=O)O3)O)OC
• Isomeric SMILES: CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4C(=O)O3)O)OC

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