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CHEBI:51176 - levopropoxyphene napsylate

ChEBI IDCHEBI:51176
ChEBI Namelevopropoxyphene napsylate
Stars
Last Modified10 December 2008
SubmitterInma Spiteri
DownloadsMolfile
FormulaH.C10H7O3S.C22H29NO2.H2O
Net Charge0
Average Mass565.732
Monoisotopic Mass565.24981
SMILESCCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.O.O=S(=O)([O-])c1ccc2ccccc2c1.[H+]
InChIInChI=1S/C22H29NO2.C10H8O3S.H2O/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13);1H2/t18-,22-;;/m1../s1
InChIKeyGBKONKCASNNUQD-VMJMSTHCSA-N
ChEBI Ontology
Outgoing Relation(s)
levopropoxyphene napsylate (CHEBI:51176) has part levopropoxyphene (CHEBI:51174)
levopropoxyphene napsylate (CHEBI:51176) is a hydrate (CHEBI:35505)
IUPAC Name 
(1R,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate naphtalene-2-sulfonic acid
Synonyms  Source
Levopropoxyphene 2-naphthalenesulfonate hydrateChemIDplus
Levopropoxyphene napsylate hydrateChemIDplus
Manual XrefsDatabases
D04718KEGG DRUG
Registry NumbersSources
CAS:55557-30-7ChemIDplus