KEGG   COMPOUND: C06836
Entry
C06836                      Compound                               

Name
Auranofin
Formula
C20H34AuO9PS
Exact mass
678.1327
Mol weight
678.4839
Structure
Remark
Same as: D00237
Brite
Glycosides [BR:br08021]
 S-glycosides
  C06836  Auranofin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01C SPECIFIC ANTIRHEUMATIC AGENTS
    M01CB Gold preparations
     M01CB03 Auranofin
      D00237  Auranofin (JP17/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immunological Agents, Other
   Miscellaneous
    Auranofin
     D00237  Auranofin (JP17/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   442  Stimulation therapy agents
    4420  Stimulation therapy agents
     D00237  Auranofin (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00237  Auranofin
  D00237  Auranofin tablets
Other DBs
CAS: 34031-32-8
PubChem: 9054
LinkDB
KCF data

ATOM        32
            1   C1y C    21.1862  -17.8939
            2   C1y C    22.3526  -17.2154
            3   C1y C    20.0141  -17.2154
            4   O7a O    21.1862  -20.9253
            5   C1y C    22.3526  -15.8639
            6   O7a O    23.5192  -17.8939
            7   C1y C    20.0141  -15.8639
            8   O7a O    18.8475  -17.8939
            9   C7a C    22.3526  -21.5927
            10  O2x O    21.1862  -15.1964
            11  S2a S    23.5136  -15.1909
            12  C7a C    24.6856  -18.5556
            13  C1b C    18.8420  -15.1964
            14  C7a C    17.6698  -18.5556
            15  C1a C    23.5192  -20.9140
            16  O6a O    22.3471  -22.9387
            17  Z   Au   23.5023  -13.8393
            18  C1a C    25.8409  -17.8772
            19  O6a O    24.6744  -19.9074
            20  O7a O    17.6698  -15.8582
            21  C1a C    16.4978  -17.8883
            22  O6a O    17.6641  -19.9074
            23  P1a P    24.8538  -13.8393
            24  C7a C    16.4978  -15.1909
            25  C1b C    24.8483  -15.1909
            26  C1b C    24.8483  -12.4934
            27  C1b C    26.1998  -13.8393
            28  C1a C    15.3313  -15.8526
            29  O6a O    16.4922  -13.8393
            30  C1a C    26.0091  -11.8092
            31  C1a C    27.1477  -14.7983
            32  C1a C    26.0707  -15.7039
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1
            14    9  15 1
            15    9  16 2
            16   11  17 1
            17   12  18 1
            18   12  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 2
            22   17  23 2
            23   20  24 1
            24   23  25 1
            25   23  26 1
            26   23  27 1
            27   24  28 1
            28   24  29 2
            29   26  30 1
            30   27  31 1
            31    7  10 1
            32   25  32 1

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