KEGG   DRUG: D01146Help
Entry
D01146                      Drug                                   

Name
Iguratimod (JAN/INN)
Formula
C17H14N2O6S
Exact mass
374.0573
Mol weight
374.3679
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
[DS:H00630]
Remark
Therapeutic category: 
Interaction
Drug interaction
Structure map
Antirheumatics - DMARDs and biological agents
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D01146  Iguratimod (JAN/INN)
Phytochemicals used as drugs [BR:br08306]
 Polyketides
  Quinones
   gamma-Pyrones
    Chromones
     D01146  Iguratimod (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
123663-49-0
PubChem: 
LigandBox: 
KCF data Show

ATOM        26
            1   C8x C    25.2173  -17.9350
            2   C8x C    25.2173  -20.7366
            3   C8y C    24.0084  -20.0362
            4   C8y C    24.0143  -18.6354
            5   C8y C    22.8042  -17.9299
            6   O2x O    22.7922  -20.7315
            7   C8x C    21.5821  -20.0259
            8   C8y C    21.5948  -18.6288
            9   N1b N    20.3911  -17.9192
            10  C4a C    19.1749  -18.6069
            11  C8y C    26.4334  -18.6354
            12  C8y C    26.4334  -20.0362
            13  N1b N    27.6464  -20.7366
            14  O2a O    27.6464  -17.9350
            15  S4a S    28.8592  -20.0362
            16  C1a C    30.0721  -20.7370
            17  C8y C    27.6464  -16.5342
            18  C8x C    28.8616  -15.8374
            19  C8x C    28.8616  -14.4366
            20  C8x C    27.6484  -13.7362
            21  C8x C    26.4354  -14.4366
            22  C8x C    26.4354  -15.8374
            23  O5x O    22.8069  -16.5291
            24  O4a O    17.9682  -17.8955
            25  O3c O    30.0627  -19.3289
            26  O3c O    27.6360  -19.3358
BOND        28
            1     5   8 1
            2    11  12 2
            3    12  13 1
            4    13  15 1
            5    14  11 1
            6     7   6 1
            7     6   3 1
            8    15  16 1
            9     2  12 1
            10   14  17 1
            11   11   1 1
            12    1   4 2
            13    7   8 2
            14    8   9 1
            15   17  18 2
            16   18  19 1
            17   19  20 2
            18   20  21 1
            19   21  22 2
            20   22  17 1
            21    9  10 1
            22    5  23 2
            23    3   2 2
            24   10  24 2
            25    3   4 1
            26   15  25 2
            27    4   5 1
            28   15  26 2

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