KEGG   DRUG: Butorphanol tartrateHelp
Entry
D00837                      Drug                                   

Name
Butorphanol tartrate (JAN/USP);
Stadol (TN)
Product
  Generic
Formula
C21H29NO2. C4H6O6
Exact mass
477.2363
Mol weight
477.5473
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
ATC code: N02AF01
Chemical structure group: DG00821
Product (DG00821): D00837<US>
Efficacy
Analgesic, Antitussive, Opioid receptor agonist/antagonist
Comment
Opioid alkaloid, morphinan
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AF Morphinan derivatives
     N02AF01 Butorphanol
      D00837  Butorphanol tartrate (JAN/USP) <US>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Butorphanol
    D00837  Butorphanol tartrate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00837  Butorphanol tartrate (JAN/USP) <US>
    OPRK1
     D00837  Butorphanol tartrate (JAN/USP) <US>
Drug classes of therapeutic agents [br08360.html]
 Anesthetics, analgesics and anti-inflammatory drugs
  D00837
BRITE hierarchy
Other DBs
CAS: 58786-99-5
PubChem: 7847902
ChEBI: 3243
DrugBank: DB00611
LigandBox: D00837
NIKKAJI: J300.259D
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1z C    14.4241  -15.0906
            2   C1z C    15.5897  -15.7724
            3   C8y C    14.4241  -13.7327
            4   C1x C    15.7120  -14.2164
            5   C1x C    13.2411  -15.7549
            6   C1y C    16.7784  -15.0381
            7   C1x C    15.5897  -17.1243
            8   O1a O    16.7667  -16.4600
            9   C8y C    15.5954  -13.0567
            10  C8x C    13.2354  -13.0567
            11  C1x C    17.9613  -14.2107
            12  C1x C    13.2294  -17.1127
            13  N1y N    17.9613  -15.6966
            14  C1x C    16.7726  -13.7444
            15  C1x C    14.4067  -17.7887
            16  C8x C    15.5954  -11.6990
            17  C8y C    13.2354  -11.6990
            18  C1b C    19.3133  -15.6966
            19  C8x C    14.4298  -11.0171
            20  O1a O    12.0639  -11.0171
            21  C1y C    19.9952  -16.8737
            22  C1x C    19.6456  -18.1849
            23  C1x C    21.3180  -17.2176
            24  C1x C    20.9626  -18.5289
            25  C1c C    23.4100  -14.8283
            26  C1c C    24.6163  -14.1290
            27  C6a C    22.1979  -14.1407
            28  O1a O    23.4042  -16.2270
            29  C6a C    25.8226  -14.8226
            30  O1a O    24.6046  -12.7304
            31  O6a O    20.9859  -14.8343
            32  O6a O    22.1922  -12.7363
            33  O6a O    27.0348  -14.1233
            34  O6a O    25.8168  -16.2210
BOND        37
            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     2   8 1 #Up
            8     3   9 2
            9     3  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1 #Up
            13    6  14 1
            14    7  15 1
            15    9  16 1
            16   10  17 2
            17   13  18 1
            18   16  19 2
            19   17  20 1
            20   18  21 1
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24    9  14 1
            25   13  11 1 #Up
            26   12  15 1
            27   17  19 1
            28   23  24 1
            29   25  26 1
            30   25  27 1
            31   25  28 1 #Up
            32   26  29 1
            33   26  30 1 #Up
            34   27  31 1
            35   27  32 2
            36   29  33 1
            37   29  34 2

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