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Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine

Base Information
  • Chemical Name:Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine
  • CAS No.:52387-20-9
  • Molecular Formula:C31H39N5O6
  • Molecular Weight:577.6713
  • Hs Code.:
  • DSSTox Substance ID:DTXSID10966800
Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine

Synonyms:lenigesial 1-carboxymethyl-3,7-dimethylxanthine;propoxyphene 1-carboxymethyl-3,7-dimethylxanthine;Z.867

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Chemical Property of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine
Chemical Property:
  • Vapor Pressure:4.43E-08mmHg at 25°C 
  • Boiling Point:444°Cat760mmHg 
  • Flash Point:130.6°C 
  • Density:g/cm3 
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:11
  • Exact Mass:577.29003398
  • Heavy Atom Count:42
  • Complexity:782
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MSDS Files:
Useful:
  • Canonical SMILES:CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)O
  • Isomeric SMILES:CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)O
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