CHEBI:51179 - dextropropoxyphene napsylate

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ChEBI Name dextropropoxyphene napsylate
ChEBI ID CHEBI:51179
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C22H29NO2.C10H8O3S.H2O
C32H39NO6S
Net Charge 0
Average Mass 565.72120
Monoisotopic Mass 565.24981
InChI InChI=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
InChIKey GBKONKCASNNUQD-VGHSCWAPSA-N
SMILES [H+].O.[O-]S(=O)(=O)c1ccc2ccccc2c1.CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
ChEBI Ontology
Outgoing dextropropoxyphene napsylate (CHEBI:51179) has part dextropropoxyphene (CHEBI:51173)
dextropropoxyphene napsylate (CHEBI:51179) is a hydrate (CHEBI:35505)
IUPAC Name
(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate naphtalene-2-sulfonic acid
Synonyms Sources
d-4-Dimethylamino-3-methyl-1,2-diphenyl-2-propionoxybutanenaphthalene-2-sulphonate hydrate ChemIDplus
d-Propoxyphene napsylate hydrate ChemIDplus
Propoxyphene 2-naphthalenesulfonate, d-, monohydrate ChemIDplus
Propoxyphene napsylate, d-, monohydrate ChemIDplus
Manual Xref Database
D05632 KEGG DRUG
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Registry Number Type Source
26570-10-5 CAS Registry Number ChemIDplus
Last Modified
10 December 2008