KEGG   DRUG: Xorphanol mesylate
Entry
D06342                      Drug                                   
Name
Xorphanol mesylate (USAN)
Formula
C23H31NO. CH4SO3
Exact mass
433.2287
Mol weight
433.604
Structure
Efficacy
Analgesic, Opioid receptor agonist
Target
OPRD1 [HSA:4985] [KO:K04213]
OPRK1 [HSA:4986] [KO:K04214]
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
     D06342  Xorphanol mesylate (USAN)
    OPRK1
     D06342  Xorphanol mesylate (USAN)
    OPRD1
     D06342  Xorphanol mesylate (USAN)
Other DBs
CAS: 77287-90-2
PubChem: 47207999
LigandBox: D06342
LinkDB
KCF data

ATOM        30
            1   C1z C    19.5201  -20.2859
            2   C1y C    20.6827  -20.9661
            3   C8y C    19.5201  -18.9315
            4   C1x C    20.8047  -19.4140
            5   C1x C    18.3400  -20.9486
            6   C1y C    21.9387  -20.2336
            7   C1y C    20.6827  -22.3149
            8   C8y C    20.6886  -18.2572
            9   C8x C    18.3341  -18.2572
            10  C1x C    23.0487  -19.4081
            11  C2y C    18.3283  -22.3032
            12  N1y N    23.0487  -20.8905
            13  C1x C    21.9326  -18.9432
            14  C1x C    19.5025  -22.9776
            15  C8x C    20.6886  -16.9025
            16  C8y C    18.3341  -16.9025
            17  C1b C    24.3974  -20.8905
            18  C8x C    19.5258  -16.2225
            19  O1a O    17.1656  -16.2225
            20  C1y C    25.0775  -22.0648
            21  C1x C    24.7288  -23.3729
            22  C1x C    26.3973  -22.4077
            23  C1x C    26.0426  -23.7157
            24  C1a C    21.8791  -23.0156
            25  C2a C    17.1094  -23.0017
            26  O1d O    28.6718  -17.7224
            27  S4a S    28.6718  -19.1180
            28  C1a C    27.2764  -19.1180
            29  O1d O    30.0676  -19.1180
            30  O1d O    28.6718  -20.5135
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 2
            16   12  17 1
            17   15  18 2
            18   16  19 1
            19   17  20 1
            20   20  21 1
            21   20  22 1
            22   21  23 1
            23    8  13 1
            24   12  10 1
            25   11  14 1
            26   16  18 1
            27   22  23 1
            28    7  24 1 #Up
            29   11  25 2
            30   26  27 2
            31   27  28 1
            32   27  29 1
            33   27  30 2

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