KEGG   COMPOUND: C07310Help
Entry
C07310                      Compound                               

Name
Spironolactone
Formula
C24H32O4S
Exact mass
416.2021
Mol weight
416.5735
Structure
Mol fileKCF fileDB search
Remark
Same as: D00443
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C07310  Spironolactone
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03D POTASSIUM-SPARING AGENTS
    C03DA Aldosterone antagonists
     C03DA01 Spironolactone
      D00443  Spironolactone (JP17/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Diuretics, Potassium-sparing
   Spironolactone
    D00443  Spironolactone (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   213  Diuretics
    2133  Antialdosterones
     D00443  Spironolactone (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D00443  Spironolactone (JP17/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00443  Spironolactone
  D00443  Spironolactone tablets
Drug classes of therapeutic agents [br08360.html]
 Cardiovascular agents
  D00443
 Endocrine and hormonal agents
  D00443
BRITE hierarchy
Other DBs
CAS: 52-01-7
PubChem: 9518
ChEBI: 9241
ChEMBL: CHEMBL1320310 CHEMBL1393 CHEMBL1473269
PDB-CCD: SNL[PDBj]
NIKKAJI: J4.474A
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1z C    28.2976  -16.1582
            2   C1z C    27.0958  -16.8292
            3   C1x C    29.4642  -16.8582
            4   O7x O    29.4059  -15.3591
            5   C1x C    27.1950  -15.3533
            6   C1y C    27.0784  -18.2059
            7   C1x C    25.9176  -16.1408
            8   C1a C    26.4017  -15.4290
            9   C1x C    29.4468  -18.2292
            10  C7x C    28.9917  -14.0524
            11  C1x C    27.6209  -14.0466
            12  C1y C    25.8942  -18.8825
            13  C1x C    24.7217  -16.8175
            14  O6a O    29.8026  -12.9499
            15  C1y C    24.7100  -18.1883
            16  C1y C    25.8942  -20.2533
            17  C1z C    23.5199  -18.8709
            18  C1x C    24.6983  -20.9417
            19  S2a S    27.0784  -20.9476
            20  C2y C    23.5142  -20.2417
            21  C1x C    22.3300  -18.1825
            22  C1a C    23.5082  -17.4942
            23  C5a C    28.2683  -20.2593
            24  C2x C    22.3300  -20.9359
            25  C1x C    21.1398  -18.8709
            26  C1a C    29.4525  -20.9476
            27  O5a O    28.2743  -18.8825
            28  C5x C    21.1398  -20.2417
            29  O5x O    19.9499  -20.9359
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   10  14 2
            14   12  15 1
            15   12  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   17  21 1
            21   17  22 1 #Up
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   23  26 1
            26   23  27 2
            27   24  28 1
            28   28  29 2
            29    6   9 1
            30   10  11 1
            31   13  15 1
            32   18  20 1
            33   25  28 1

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