Mrv0541 02201415052D          

 25 26  0  0  0  0            999 V2000
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   -2.3350    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6205   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9061    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5229    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9061   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9061   -1.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  4  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 13  9  2  0  0  0  0
  9 14  1  0  0  0  0
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  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 15 24  1  1  0  0  0
 17 25  2  0  0  0  0
M  END
> <ID>
CHEBI:51173

> <NAME>
dextropropoxyphene

> <DEFINITION>
The (1S,2R)-(+)-diastereoisomer of propoxyphene.

> <STAR>
3

> <SYNONYM>
Dextroproxifeno; Dextropropoxyphen; Destropropossifene; d-Propoxyphene; alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol-propionat; alpha-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate ester; 4-Dimethylamino-3-methyl-1,2-diphenyl-2-propoxybutane; (S)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol propanoate; (+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-propionyloxybutane; (+)-1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane

> <IUPAC_NAME>
(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate

> <INN>
dextropropoxyphenum; dextropropoxyphene; dextropropoxyphene; dextropropoxifeno

> <FORMULA>
C22H29NO2

> <MASS>
339.47120

> <MONOISOTOPIC_MASS>
339.21983

> <CHARGE>
0

> <SMILES>
CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1

> <INCHI>
InChI=1S/C22H29NO2/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/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1

> <INCHIKEY>
XLMALTXPSGQGBX-GCJKJVERSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5605276

> <CAS_REGISTRY_NUMBER>
469-62-5

> <REAXYS_REGISTRY_NUMBER>
5605276

> <CHEMIDPLUS>
469-62-5

> <DRUGBANK_ACCESSION>
DB00647

> <KEGG_COMPOUND_ACCESSION>
C07406

> <KEGG_DRUG_ACCESSION>
D07809

> <WIKIPEDIA_ACCESSION>
Propoxyphene

> <PUBMED_CITATION>
17122535; 19874162; 23200698

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