KEGG   COMPOUND: C12512Help
Entry
C12512                      Compound                               

Name
Eplerenone
Formula
C24H30O6
Exact mass
414.2042
Mol weight
414.4914
Structure
Mol fileKCF fileDB search
Remark
Same as: D01115
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03D POTASSIUM-SPARING AGENTS
    C03DA Aldosterone antagonists
     C03DA04 Eplerenone
      D01115  Eplerenone (JP17/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Diuretics, Potassium-sparing
   Eplerenone
    D01115  Eplerenone (JP17/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01115  Eplerenone (JP17/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D01115  Eplerenone (JP17/USAN/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01115  Eplerenone
  D01115  Eplerenone tablets
Drug classes of therapeutic agents [br08360.html]
 Cardiovascular agents
  D01115
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01115
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01115
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01115
BRITE hierarchy
Other DBs
CAS: 107724-20-9
PubChem: 582902
ChEBI: 31547
ChEMBL: CHEMBL1095097
PDB-CCD: YNU[PDBj]
NIKKAJI: J835.298D
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1y C    20.7345  -15.5244
            2   C1z C    20.7274  -16.9251
            3   O2x O    21.9448  -16.2231
            4   C1x C    17.0844  -17.6143
            5   C5x C    17.0844  -19.0150
            6   C2x C    18.3003  -19.7153
            7   C1x C    18.3003  -16.9140
            8   C1z C    19.5091  -17.6143
            9   C2y C    19.5030  -19.0150
            10  C1x C    20.7130  -19.7204
            11  C1y C    21.9291  -19.0253
            12  C1y C    21.9291  -17.6276
            13  C1x C    21.9520  -14.8336
            14  C1z C    23.1560  -15.5421
            15  C1y C    23.1468  -16.9442
            16  C1x C    24.4777  -17.3862
            17  C1x C    25.3090  -16.2572
            18  C1z C    24.4919  -15.1156
            19  O7x O    25.8914  -15.1172
            20  C7x C    26.3253  -13.7867
            21  C1x C    25.1939  -12.9631
            22  C1x C    24.0609  -13.7843
            23  O6a O    27.6578  -13.3553
            24  C7a C    23.1404  -19.7282
            25  O6a O    23.1375  -21.1288
            26  O7a O    24.3549  -19.0306
            27  C1a C    25.5664  -19.7334
            28  O5x O    15.8718  -19.7158
            29  C1a C    19.4966  -16.2137
            30  C1a C    23.1467  -14.1410
BOND        35
            1     8   7 1
            2     7   4 1
            3    14  15 1
            4    15  16 1
            5    16  17 1
            6    17  18 1
            7    18  14 1
            8     1   2 1
            9     1   3 1 #Down
            10    2   3 1 #Down
            11    8   9 1
            12    9  10 1
            13   18  19 1
            14   19  20 1
            15   20  21 1
            16   21  22 1
            17   18  22 1 #Down
            18   10  11 1
            19   20  23 2
            20   11  12 1
            21   11  24 1 #Down
            22    2   8 1
            23   24  25 2
            24    4   5 1
            25   24  26 1
            26    5   6 1
            27   26  27 1
            28    2  12 1
            29    5  28 2
            30   12  15 1
            31    8  29 1 #Up
            32   14  13 1
            33   13   1 1
            34   14  30 1 #Up
            35    6   9 2

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