KEGG   COMPOUND: C06534
Entry
C06534                      Compound                               
Name
Heroin;
Diamorphine;
Diacetylmorphine
Formula
C21H23NO5
Exact mass
369.1576
Mol weight
369.411
Structure
Remark
Same as: D07286
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01003  Diamorphine
     D07286  Diamorphine
 Analgesic
  DG01984  Opioid analgesics
   DG01003  Diamorphine
    D07286  Diamorphine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07286  Diamorphine (BAN)
Prodrugs [br08324.html]
 D07286
Other DBs
CAS: 561-27-3
PubChem: 8764
ChEBI: 27808
3DMET: B02057
NIKKAJI: J6.494G
KCF data

ATOM        27
            1   C1z C    24.9046  -17.4632
            2   C8y C    24.9046  -16.1187
            3   C1y C    23.7352  -18.1242
            4   C1y C    26.0628  -18.1412
            5   C1x C    26.0683  -16.7796
            6   C8y C    23.7294  -15.4463
            7   C8y C    26.0741  -15.4463
            8   O2x O    22.7069  -16.7456
            9   C1y C    23.7239  -19.4687
            10  C1y C    27.2321  -17.4746
            11  C2x C    26.0515  -19.4858
            12  C1x C    28.4546  -16.7966
            13  C8y C    23.7294  -14.0961
            14  C1x C    27.2378  -16.1242
            15  C8x C    26.0741  -14.0961
            16  C2x C    24.8820  -20.1467
            17  O7a O    22.5487  -20.1354
            18  N1y N    28.4015  -18.1525
            19  C8x C    24.9046  -13.4182
            20  O7a O    22.5600  -13.4182
            21  C7a C    21.3850  -19.4519
            22  C1a C    29.6953  -17.7965
            23  C7a C    21.3905  -14.0961
            24  C1a C    20.2098  -20.1185
            25  O6a O    21.3263  -18.1015
            26  C1a C    20.2211  -13.4182
            27  O6a O    21.3905  -15.4463
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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