KEGG   DRUG: D07286Help
Entry
D07286                      Drug                                   
Name
Diamorphine (BAN);
Heroin;
Diacetylmorphine
Formula
C21H23NO5
Exact mass
369.1576
Mol weight
369.411
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Opioid analgesic
Remark
Same as: 
ATC code: 
Comment
semi-synthetic opioids
Target
mu-opioid receptor agonist [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Structure map
Opioid analgesics
Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BC Drugs used in opioid dependence
     N07BC06 Diamorphine
      D07286  Diamorphine (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    mu-opioid receptor [HSA:4988] [KO:K04215]
     Diamorphine [ATC:N02AA09]
      D07286  Diamorphine (BAN)
BRITE hierarchy
Other DBs
CAS: 
561-27-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C1z C    26.8800  -19.0400
            2   C8y C    26.8800  -17.7100
            3   C1y C    25.6900  -19.7400
            4   C1y C    28.0000  -19.7400
            5   C1x C    28.0000  -18.4100
            6   C8y C    25.6900  -17.0800
            7   C8y C    28.0000  -17.0800
            8   O2x O    24.6400  -18.3400
            9   C1y C    25.6900  -21.0700
            10  C1y C    29.1900  -19.1100
            11  C2x C    28.0000  -21.0700
            12  C1x C    30.3100  -18.4100
            13  C8y C    25.6900  -15.6800
            14  C1x C    29.1900  -17.7100
            15  C8x C    28.0000  -15.6800
            16  C2x C    26.8100  -21.7700
            17  O7a O    24.5000  -21.7700
            18  N1y N    30.3800  -19.7400
            19  C8x C    26.8800  -15.0500
            20  O7a O    24.5000  -15.0500
            21  C7a C    23.3100  -21.0700
            22  C1a C    31.6400  -19.3900
            23  C7a C    23.3800  -15.6800
            24  C1a C    22.1900  -21.7000
            25  O6a O    23.3100  -19.7400
            26  C1a C    22.1900  -15.0500
            27  O6a O    23.3800  -17.0800
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    7  15 1
            15    9  16 1
            16    9  17 1 #Down
            17   10  18 1 #Up
            18   13  19 1
            19   13  20 1
            20   17  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 2
            25   23  26 1
            26   23  27 2
            27    6   8 1
            28   10  14 1
            29   11  16 2
            30   12  18 1
            31   15  19 2

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