Mofarotene

Base Information

• Chemical Name: Mofarotene
• CAS No.: 125533-88-2
• Molecular Formula: C29H39 N O2
• Molecular Weight: 433.632
• NSC Number: 658402
• UNII: 8K3CVY8F8V
• DSSTox Substance ID: DTXSID7032006
• Wikidata: Q27270660
• NCI Thesaurus Code: C63667
• ChEMBL ID: CHEMBL146506
• Mol file: 125533-88-2.mol

Synonyms:4-((2-(p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl)phenoxy)ethyl))morpholine;arotinoid Ro 40-8757;mofarotene;Ro 40-8757;Ro-40-8757

Chemical Property of Mofarotene

Chemical Property:

• Vapor Pressure: 1.86E-12mmHg at 25°C
• Melting Point: 107-109°
• Boiling Point: 557.3°Cat760mmHg
• Flash Point: 156.5°C
• PSA: 21.70000
• Density: 1.029g/cm³
• LogP: 6.24500
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 433.298079487
• Heavy Atom Count: 32
• Complexity: 625

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)OCCN2CCOCC2)C3=CC4=C(C=C3)C(CCC4(C)C)(C)C
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)OCCN2CCOCC2)/C3=CC4=C(C=C3)C(CCC4(C)C)(C)C

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