KEGG   DRUG: O-Acetyldihydrocodeine hydrochloride
Entry
D07557                      Drug                                   
Name
O-Acetyldihydrocodeine hydrochloride;
Acetylcodone (TN)
Formula
C20H25NO4. HCl
Exact mass
379.1550
Mol weight
379.88
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Remark
ATC code: R05DA12
Efficacy
Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor 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
     R05DA12 Acetyldihydrocodeine
      D07557  O-Acetyldihydrocodeine hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    D07557  O-Acetyldihydrocodeine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07557  O-Acetyldihydrocodeine hydrochloride
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Control Act Article 2 Table 1 (76 substances)
  D07557
Other DBs
CAS: 84824-86-2
PubChem: 51091878
LigandBox: D07557
NIKKAJI: J281.314I
LinkDB
KCF data

ATOM        26
            1   C1z C    26.3039  -18.9573
            2   C8y C    26.2339  -17.6982
            3   C1y C    27.3531  -19.6568
            4   C1y C    25.1147  -19.6568
            5   C1x C    27.4231  -18.3277
            6   C8y C    25.1147  -16.9986
            7   C8y C    27.4231  -16.9986
            8   C1y C    28.5423  -18.9573
            9   C1x C    27.3532  -20.9159
            10  O2x O    23.7856  -18.2578
            11  C1y C    25.1147  -20.9159
            12  C1x C    29.7315  -18.3277
            13  C8y C    25.1147  -15.6695
            14  C1x C    28.5423  -17.6982
            15  C8x C    27.4231  -15.6695
            16  N1y N    29.6616  -19.6568
            17  C1x C    26.2339  -21.6155
            18  O7a O    23.9955  -21.6155
            19  C8x C    26.2339  -15.0400
            20  O2a O    23.9955  -15.0400
            21  C1a C    22.8762  -15.6695
            22  C1a C    31.0606  -19.6568
            23  C7a C    22.7601  -20.9588
            24  C1a C    21.5443  -21.7183
            25  O6a O    22.7817  -19.5871
            26  X   Cl   35.1400  -19.8100
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 1 #Down
            18   13  19 2
            19   13  20 1
            20   20  21 1
            21    6  10 1
            22    8  14 1
            23   11  17 1
            24   12  16 1
            25   15  19 1
            26   16  22 1
            27   18  23 1
            28   23  24 1
            29   23  25 2

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