Sedalgin

Base Information

• Chemical Name: Sedalgin
• CAS No.: 52453-04-0
• Deprecated CAS: 37271-15-1,69063-85-0,52433-66-6
• Molecular Formula: C18H21NO3•C12H12N2O3•C10H13NO2•C9H8O4•C8H10N4O2•H3O4P
• Molecular Weight: 1183.29
• Mol file: 52453-04-0.mol

Synonyms:acecobarb;aspirin - codeine - phenacetin - phenobarbital;aspirin, codeine, phenacetin, phenobarbital drug combination;Sedalgin

Chemical Property of Sedalgin

Chemical Property:

• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 9
• Exact Mass: 1182.43109432
• Heavy Atom Count: 84
• Complexity: 1560

Purity/Quality:

99% ^*data from raw suppliers

ACECOBARB 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=CC=C(C=C1)NC(=O)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O
• Isomeric SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=CC=C(C=C1)NC(=O)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O