KEGG   DRUG: DiacereinHelp
Entry
D07270                      Drug                                   

Name
Diacerein (INN);
Zondar (TN)
Formula
C19H12O8
Exact mass
368.0532
Mol weight
368.2938
Structure
Mol fileKCF fileDB search
Remark
ATC code: M01AX21
Efficacy
Analgesic, Anti-inflammatory, Antipyretic
Comment
Anthraquinone derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AX Other antiinflammatory and antirheumatic agents, non-steroids
     M01AX21 Diacerein
      D07270  Diacerein (INN)
BRITE hierarchy
Other DBs
CAS: 13739-02-1
PubChem: 51091608
ChEMBL: CHEMBL41286
LigandBox: D07270
NIKKAJI: J14.479G
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    14.1400  -15.8200
            2   C8x C    14.1400  -17.2200
            3   C8y C    15.3524  -17.9200
            4   C8y C    16.5649  -17.2200
            5   C8y C    16.5649  -15.8200
            6   C8x C    15.3524  -15.1200
            7   C5x C    17.7773  -17.9200
            8   C8y C    18.9897  -17.2200
            9   C8y C    18.9897  -15.8200
            10  C5x C    17.7773  -15.1200
            11  C8y C    20.2022  -17.9200
            12  C8x C    21.4146  -17.2200
            13  C8y C    21.4146  -15.8200
            14  C8x C    20.2022  -15.1200
            15  O5x O    17.7773  -13.7200
            16  O5x O    17.7773  -19.3200
            17  O7a O    20.2022  -19.3197
            18  O7a O    15.3524  -19.3198
            19  C6a C    22.6311  -15.1177
            20  O6a O    23.8286  -15.8092
            21  O6a O    22.6311  -13.7202
            22  C7a C    21.4354  -20.0320
            23  O6a O    22.6415  -19.3359
            24  C1a C    21.4351  -21.4199
            25  C7a C    14.1232  -20.0297
            26  O6a O    12.9192  -19.3346
            27  C1a C    14.1234  -21.4199
BOND        29
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18    7  16 2
            19   11  17 1
            20    3  18 1
            21   13  19 1
            22   19  20 1
            23   19  21 2
            24   17  22 1
            25   22  23 2
            26   22  24 1
            27   18  25 1
            28   25  26 2
            29   25  27 1

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