KEGG   DRUG: Ethylmorphine hydrochloride hydrateHelp
Entry
D02205                      Drug                                   

Name
Ethylmorphine hydrochloride hydrate (JP17);
Ethylmorphine hydrochloride dihydrate;
Ethylmorphine hydrochloride (TN)
Formula
C19H23NO3. 2HCl. H2O
Exact mass
403.1317
Mol weight
404.328
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: R05DA01 S01XA06
Chemical structure group: DG01074
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DA Opium alkaloids and derivatives
     R05DA01 Ethylmorphine
      D02205  Ethylmorphine hydrochloride hydrate (JP17)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA06 Ethylmorphine
      D02205  Ethylmorphine hydrochloride hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02205  Ethylmorphine hydrochloride hydrate (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02205  Ethylmorphine hydrochloride hydrate
BRITE hierarchy
Other DBs
PubChem: 7849265
LigandBox: D02205
KCF data Show

ATOM        26
            1   O0  O    24.3206  -17.1605
            2   C1z C    15.5694  -16.5794
            3   C8y C    15.5694  -15.2554
            4   C1y C    16.7540  -17.2761
            5   C1y C    14.4545  -17.2065
            6   C1x C    16.7540  -15.9523
            7   C8y C    14.4545  -14.6283
            8   C8y C    16.7540  -14.6283
            9   C1y C    17.8689  -16.5794
            10  C2x C    16.7540  -18.5304
            11  O2x O    13.1306  -15.8825
            12  C1y C    14.4545  -18.5304
            13  C1x C    18.9837  -15.9523
            14  C8y C    14.4545  -13.3044
            15  C1x C    17.8689  -15.3251
            16  C8x C    16.7540  -13.3044
            17  N1y N    18.9837  -17.2761
            18  C2x C    15.5694  -19.2272
            19  O1a O    13.3397  -19.2272
            20  C8x C    15.6391  -12.6773
            21  O2a O    13.3397  -12.6773
            22  C1b C    12.1551  -13.3044
            23  C1a C    20.3826  -17.2761
            24  C1a C    10.9853  -12.5702
            25  X   Cl   24.0800  -15.1200
            26  X   Cl   24.0800  -15.1200
BOND        27
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1 #Up
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     4  10 1
            9     5  11 1 #Down
            10    5  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14    8  16 2
            15    9  17 1 #Up
            16   10  18 2
            17   12  19 1 #Down
            18   14  20 2
            19   14  21 1
            20   21  22 1
            21    7  11 1
            22    9  15 1
            23   12  18 1
            24   13  17 1
            25   16  20 1
            26   17  23 1
            27   22  24 1
BRACKET     1    22.6100  -15.8900   22.6100  -14.2800
            1    24.8500  -14.2800   24.8500  -15.8900
            1  2
 ORIGINAL  1   26
 REPEAT    1   27

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