Quadazocine mesylate

Base Information

• Chemical Name: Quadazocine mesylate
• CAS No.: 71276-44-3
• Molecular Formula: C26H41NO5S
• Molecular Weight: 383.5668
• DSSTox Substance ID: DTXSID20991582
• NCI Thesaurus Code: C80587
• ChEMBL ID: CHEMBL2107105

Synonyms:Quadazocine mesylate;Quadazocine mesilate;WIN-44441-3;SCHEMBL1239626;CHEMBL2107105;DTXSID20991582;71276-44-3;Methanesulfonic acid--1-cyclopentyl-5-(8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl)pentan-3-one (1/1)

Chemical Property of Quadazocine mesylate

Chemical Property:

• Vapor Pressure: 3.39E-11mmHg at 25°C
• Boiling Point: 514.3°Cat760mmHg
• Flash Point: 264.8°C
• Density: 1.059g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 479.27054458
• Heavy Atom Count: 33
• Complexity: 663

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCN(C(C1(C)CCC(=O)CCC3CCCC3)CC4=C2C=C(C=C4)O)C.CS(=O)(=O)O
• Isomeric SMILES: C[C@]12CCN([C@H](C1(C)CCC(=O)CCC3CCCC3)CC4=C2C=C(C=C4)O)C.CS(=O)(=O)O

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