KEGG   DRUG: Asalhydromorphone hydrochlorideHelp
Entry
D11292                      Drug                                   

Name
Asalhydromorphone hydrochloride (USAN)
Formula
C35H31NO9. HCl
Exact mass
645.1766
Mol weight
646.0829
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02967
Efficacy
Analgesic, Opioid receptor agonist
Comment
Treatment of moderate to severe pain
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D11292  Asalhydromorphone hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 1431530-07-2
PubChem: 384585270
KCF data Show

ATOM        46
            1   O2x O    18.6497  -17.8114
            2   C8y C    17.3226  -14.4586
            3   C8y C    17.9512  -15.7159
            4   C1z C    19.3482  -15.7159
            5   C1y C    20.0467  -14.4586
            6   C1y C    19.3482  -13.3411
            7   C1x C    17.9512  -13.3411
            8   C8x C    15.9256  -14.4586
            9   C8x C    15.2271  -15.7159
            10  C8y C    15.9256  -16.8335
            11  C8y C    17.3226  -16.8335
            12  C1y C    20.0467  -16.8335
            13  C2y C    21.3738  -16.8335
            14  C2x C    22.0723  -15.7159
            15  C1x C    21.3738  -14.4586
            16  C1x C    18.6497  -14.5285
            17  N1y N    20.0467  -12.1536
            18  C1a C    20.0467  -10.7567
            19  C1x C    18.6497  -12.1536
            20  O7a O    22.0723  -18.0209
            21  C7a C    23.4693  -18.0209
            22  O6a O    24.1677  -16.8335
            23  C8y C    24.0979  -19.2083
            24  C8x C    23.4693  -20.3958
            25  C8x C    24.0979  -21.5832
            26  C8x C    25.4949  -21.5832
            27  C8x C    26.1235  -20.3958
            28  C8y C    25.4949  -19.1385
            29  O7a O    26.1235  -17.9511
            30  C7a C    27.5205  -17.9511
            31  O6a O    28.1491  -19.1385
            32  C1a C    28.2190  -16.7636
            33  O7a O    15.2271  -18.0209
            34  C7a C    13.9000  -18.0209
            35  C8y C    13.2015  -16.8335
            36  O6a O    13.2015  -19.2083
            37  C8x C    13.8302  -15.6461
            38  C8x C    13.2015  -14.4586
            39  C8x C    11.8046  -14.4586
            40  C8x C    11.1061  -15.6461
            41  C8y C    11.8046  -16.8335
            42  O7a O    11.1061  -18.0209
            43  C7a C     9.7789  -18.0209
            44  O6a O     9.0805  -16.8335
            45  C1a C     9.0805  -19.2083
            46  X   Cl   27.9300  -12.3200
BOND        51
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     2   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11    3  11 2
            12    4  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16    5  15 1
            17    1  11 1
            18   12   1 1 #Down
            19    4  16 1 #Up
            20    6  17 1 #Up
            21   17  18 1
            22   17  19 1
            23   19  16 1
            24   13  20 1
            25   20  21 1
            26   21  22 2
            27   21  23 1
            28   23  24 2
            29   24  25 1
            30   25  26 2
            31   26  27 1
            32   27  28 2
            33   23  28 1
            34   28  29 1
            35   29  30 1
            36   30  31 2
            37   30  32 1
            38   10  33 1
            39   33  34 1
            40   34  35 1
            41   34  36 2
            42   35  37 2
            43   37  38 1
            44   38  39 2
            45   39  40 1
            46   40  41 2
            47   35  41 1
            48   41  42 1
            49   42  43 1
            50   43  44 2
            51   43  45 1

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