Semorphone

Base Information

• Chemical Name: Semorphone
• CAS No.: 88939-40-6
• Deprecated CAS: 148708-26-3
• Molecular Formula: C19H23 N O5
• Molecular Weight: 345.39
• UNII: 2HD55617I2
• DSSTox Substance ID: DTXSID00933465
• Nikkaji Number: J554.939F
• Wikipedia: Semorphone
• Wikidata: Q7449756
• NCI Thesaurus Code: C76846
• Metabolomics Workbench ID: 155868
• ChEMBL ID: CHEMBL2107565
• Mol file: 88939-40-6.mol

Synonyms:Mr 2264;Mr 2264 Cl;Mr-2264

Chemical Property of Semorphone

Chemical Property:

• Vapor Pressure: 1.16E-12mmHg at 25°C
• Refractive Index: 1.67
• Boiling Point: 543.9°C at 760 mmHg
• Flash Point: 282.7°C
• PSA: 79.23000
• Density: 1.44g/cm³
• LogP: 0.69970
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 345.15762283
• Heavy Atom Count: 25
• Complexity: 584

Purity/Quality:

99% ^*data from raw suppliers

SEMORPHONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O
• Isomeric SMILES: COCCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O

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