KEGG   DRUG: ButorphanolHelp
Entry
D03197                      Drug                                   

Name
Butorphanol (USAN/INN)
Formula
C21H29NO2
Exact mass
327.2198
Mol weight
327.4605
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
Same as: C06863
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
      D03197  Butorphanol (USAN/INN)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Butorphanol
    D03197  Butorphanol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03197  Butorphanol (USAN/INN)
    OPRK1
     D03197  Butorphanol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 42408-82-2
PubChem: 17397351
ChEBI: 3242
ChEMBL: CHEMBL33986
LigandBox: D03197
NIKKAJI: J16.487I
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1z C    31.7771  -18.9290
            2   C1z C    32.9418  -19.6104
            3   C8y C    31.7771  -17.5721
            4   C1x C    33.0640  -18.0555
            5   C1x C    30.5949  -19.5929
            6   C1y C    34.1299  -18.8766
            7   C1x C    32.9418  -20.9616
            8   O1a O    34.1182  -20.3676
            9   C8y C    32.9477  -16.8966
            10  C8x C    30.5890  -16.8966
            11  C1x C    35.3121  -18.0496
            12  C1x C    30.5832  -20.9499
            13  N1y N    35.3121  -19.5346
            14  C1x C    34.1940  -17.5838
            15  C1x C    31.7595  -21.6255
            16  C8x C    32.9477  -15.5395
            17  C8y C    30.5890  -15.5395
            18  C1b C    36.6632  -19.5346
            19  C8x C    31.7828  -14.8582
            20  O1a O    29.4184  -14.8582
            21  C1y C    37.3445  -20.7111
            22  C1x C    36.9951  -22.0215
            23  C1x C    38.6666  -21.0546
            24  C1x C    38.3113  -22.3650
BOND        28
            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

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