KEGG   COMPOUND: C07406Help
Entry
C07406                      Compound                               

Name
Propoxyphene
Formula
C22H29NO2
Exact mass
339.2198
Mol weight
339.4712
Structure
Mol fileKCF fileDB search
Remark
Same as: D07809
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AC Diphenylpropylamine derivatives
     N02AC04 Dextropropoxyphene
      D07809  Dextropropoxyphene (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07809  Dextropropoxyphene (INN)
BRITE hierarchy
Other DBs
CAS: 469-62-5
PubChem: 9610
ChEBI: 51173
ChEMBL: CHEMBL1201790 CHEMBL1213351
NIKKAJI: J5.928E
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1d C    18.6317  -16.1641
            2   C8y C    18.6259  -14.7583
            3   C1b C    17.4124  -16.8701
            4   C1c C    18.6317  -17.5525
            5   O7a O    19.8392  -16.8467
            6   C8x C    17.4124  -14.0582
            7   C8x C    19.8392  -14.0582
            8   C8y C    16.1991  -16.1641
            9   C1b C    19.8392  -18.2585
            10  C1a C    17.4124  -18.2468
            11  C7a C    21.0525  -16.1524
            12  C8x C    17.4124  -12.6524
            13  C8x C    19.8392  -12.6524
            14  C8x C    16.1991  -14.7699
            15  C8x C    14.9856  -16.8758
            16  N1c N    19.8392  -19.6526
            17  C1b C    22.2660  -16.8408
            18  O6a O    21.0525  -14.7466
            19  C8x C    18.6259  -11.9581
            20  C8x C    14.9799  -14.0699
            21  C8x C    13.7780  -16.1758
            22  C1a C    21.0525  -20.3527
            23  C1a C    18.6259  -20.3527
            24  C1a C    23.4736  -16.1409
            25  C8x C    13.7723  -14.7699
BOND        26
            1     1   2 1 #Up
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    8  15 1
            15    9  16 1
            16   11  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 1
            20   15  21 2
            21   16  22 1
            22   16  23 1
            23   17  24 1
            24   20  25 2
            25   13  19 2
            26   21  25 1

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