Buprenorphine 3-O-Methyl Ether

Base Information

• Chemical Name: Buprenorphine 3-O-Methyl Ether
• CAS No.: 16524-65-5
• Molecular Formula: C₃₀H₄₃NO₄
• Molecular Weight: 481.676
• European Community (EC) Number: 605-398-5
• DSSTox Substance ID: DTXSID501020935

Synonyms:16524-65-5;Buprenorphine 3-O-Methyl Ether;SCHEMBL14408880;DTXSID501020935;Buprenorphine 3-O-Methyl Ether (1mg/ml in Acetonitrile)

Chemical Property of Buprenorphine 3-O-Methyl Ether

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 481.31920885
• Heavy Atom Count: 35
• Complexity: 884

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)CC7CC7)OC)O
• Isomeric SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)CC7CC7)OC)(C(C)(C)C)O

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