Adozelesin

Base Information

• Chemical Name: Adozelesin
• CAS No.: 110314-48-2
• Molecular Formula: C30H22 N4 O4
• Molecular Weight: 502.5201
• UNII: 6N3M4XJR2V
• DSSTox Substance ID: DTXSID00891354
• Nikkaji Number: J459.788E
• Wikipedia: Adozelesin
• Wikidata: Q76393575
• NCI Thesaurus Code: C1270
• Metabolomics Workbench ID: 144408
• ChEMBL ID: CHEMBL35493
• Mol file: 110314-48-2.mol

Synonyms:6-(3-methoxy-1-methyl-3-oxo-1-propenyl)-3-methyl-2-cyclohexene-1-carboxylic acid methyl ester;adozelesin;U 73975;U-73,975;U-73975

Chemical Property of Adozelesin

Chemical Property:

• Boiling Point: 766.2°Cat760mmHg
• Flash Point: 417.2°C
• PSA: 111.20000
• Density: 1.56g/cm³
• LogP: 5.30770
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 502.16410520
• Heavy Atom Count: 38
• Complexity: 1090

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8O7
• Isomeric SMILES: CC1=CNC2=C1[C@@]34C[C@@H]3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8O7
• Uses: Antineoplastic.

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