KEGG   DRUG: SpiroxasoneHelp
Entry
D05912                      Drug                                   

Name
Spiroxasone (USAN/INN)
Formula
C24H34O3S
Exact mass
402.2229
Mol weight
402.59
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01885  Potassium-sparing diuretic
  DG01676  Aldosterone antagonist
Efficacy
Diuretic, Aldosterone antagonist
Target
NR3C2 (MR) [HSA:4306] [KO:K08555]
  Pathway
hsa04960  Aldosterone-regulated sodium reabsorption
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D05912  Spiroxasone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 6673-97-8
PubChem: 47207570
ChEMBL: CHEMBL2105514
LigandBox: D05912
NIKKAJI: J8.429H
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1z C    46.1137  -16.4089
            2   C1z C    44.9193  -17.0758
            3   C1x C    47.2731  -17.1046
            4   O2x O    47.2152  -15.6147
            5   C1x C    45.0179  -15.6090
            6   C1y C    44.9720  -18.4440
            7   C1x C    43.7483  -16.3916
            8   C1a C    44.2295  -15.5450
            9   C1x C    47.2558  -18.3972
            10  C1x C    46.8035  -14.2460
            11  C1x C    45.4412  -14.3103
            12  C1y C    43.7251  -19.1165
            13  C1x C    42.5598  -17.0642
            14  C1y C    42.5482  -18.4265
            15  C1y C    43.7251  -20.4788
            16  C1z C    41.3654  -19.1049
            17  C1x C    42.5365  -21.1630
            18  S2a S    44.9020  -21.1689
            19  C2y C    41.3597  -20.4673
            20  C1x C    40.1828  -18.4208
            21  C1a C    41.3537  -17.7367
            22  C5a C    46.0846  -20.4848
            23  C2x C    40.1828  -21.1572
            24  C1x C    38.9999  -19.1049
            25  C1a C    47.2615  -21.1689
            26  O5a O    46.0906  -19.1165
            27  C5x C    38.9999  -20.4673
            28  O5x O    37.8173  -21.1572
BOND        32
            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   12  14 1
            14   12  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1 #Down
            18   16  19 1
            19   16  20 1
            20   16  21 1 #Up
            21   18  22 1
            22   19  23 2
            23   20  24 1
            24   22  25 1
            25   22  26 2
            26   23  27 1
            27   27  28 2
            28    6   9 1
            29   10  11 1
            30   13  14 1
            31   17  19 1
            32   24  27 1

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