
 Dextropropoxyphene

 54 55  0  0  0  0  0  0  0  0999 V2000
    3.8806   -0.1186    0.1477 C   0  0  0  0  0
    3.3905    1.2547   -0.2697 C   0  0  0  0  0
    4.4662    1.9763   -1.0372 C   0  0  0  0  0
    4.9217    1.5604   -2.0941 O   0  0  0  0  0
    4.8563    3.0884   -0.3711 O   0  0  0  0  0
    5.9257    4.0208   -0.7947 C   0  0  0  0  0
    5.8406    4.2659   -2.3458 C   0  0  0  0  0
    6.8034    5.2021   -3.0498 C   0  0  0  0  0
    6.4331    6.5232   -3.3415 C   0  0  0  0  0
    7.2834    7.3582   -4.0706 C   0  0  0  0  0
    8.5092    6.8802   -4.5281 C   0  0  0  0  0
    8.8885    5.5696   -4.2509 C   0  0  0  0  0
    8.0411    4.7369   -3.5171 C   0  0  0  0  0
    5.5829    5.3580   -0.0649 C   0  0  0  0  0
    6.4833    6.4408   -0.0554 C   0  0  0  0  0
    6.1763    7.6404    0.5963 C   0  0  0  0  0
    4.9723    7.7790    1.2788 C   0  0  0  0  0
    4.0726    6.7201    1.3051 C   0  0  0  0  0
    4.3704    5.5286    0.6355 C   0  0  0  0  0
    7.3052    3.4452   -0.2673 C   0  0  0  0  0
    7.3205    3.3236    1.2752 C   0  0  0  0  0
    7.6609    2.0590   -0.8722 C   0  0  0  0  0
    8.9513    1.4709   -0.4537 N   0  0  0  0  0
    9.0852    0.1280   -1.0303 C   0  0  0  0  0
   10.1019    2.2895   -0.8282 C   0  0  0  0  0
    3.1035   -0.6499    0.7051 H   0  0  0  0  0
    4.7691   -0.0393    0.7836 H   0  0  0  0  0
    4.1510   -0.7241   -0.7240 H   0  0  0  0  0
    3.1036    1.8334    0.6151 H   0  0  0  0  0
    2.5060    1.1804   -0.9108 H   0  0  0  0  0
    4.8158    4.5903   -2.5821 H   0  0  0  0  0
    5.9374    3.3241   -2.8901 H   0  0  0  0  0
    5.4709    6.9098   -3.0101 H   0  0  0  0  0
    6.9806    8.3779   -4.2945 H   0  0  0  0  0
    9.1617    7.5233   -5.1124 H   0  0  0  0  0
    9.8347    5.1871   -4.6237 H   0  0  0  0  0
    8.3450    3.7075   -3.3511 H   0  0  0  0  0
    7.4430    6.3718   -0.5636 H   0  0  0  0  0
    6.8836    8.4646    0.5715 H   0  0  0  0  0
    4.7389    8.7079    1.7919 H   0  0  0  0  0
    3.1363    6.8150    1.8491 H   0  0  0  0  0
    3.6356    4.7292    0.6903 H   0  0  0  0  0
    8.0936    4.1534   -0.5457 H   0  0  0  0  0
    6.5270    2.6592    1.6323 H   0  0  0  0  0
    7.1944    4.2948    1.7621 H   0  0  0  0  0
    8.2749    2.9272    1.6365 H   0  0  0  0  0
    7.6191    2.1010   -1.9644 H   0  0  0  0  0
    6.8936    1.3509   -0.5439 H   0  0  0  0  0
    8.2486   -0.5111   -0.7258 H   0  0  0  0  0
    9.9969   -0.3590   -0.6671 H   0  0  0  0  0
    9.1183    0.1527   -2.1259 H   0  0  0  0  0
   10.1011    3.2423   -0.2900 H   0  0  0  0  0
   10.1344    2.4924   -1.9039 H   0  0  0  0  0
   11.0352    1.7892   -0.5451 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  6 20  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
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 13 37  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
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 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
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M  END

>  <Chemical Name>
Dextropropoxyphene

>  <PubChem CID>
10100

>  <Formula>
C22H29NO2

>  <Molecular Weight>
339.479000

>  <IUPAC Name>
[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate

>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C

>  <Isomeric SMILES>
CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C

>  <InChI Std. ID>
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

>  <InChI Key>
XLMALTXPSGQGBX-GCJKJVERSA-N

