KEGG   COMPOUND: C06938
Entry
C06938                      Compound                               
Name
Danazol
Formula
C22H27NO2
Exact mass
337.2042
Mol weight
337.45
Structure
Remark
Same as: D00289
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XA Antigonadotropins and similar agents
     G03XA01 Danazol
      D00289  Danazol (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   Danazol
    D00289  Danazol (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00289  Danazol (JP18/USP/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   D00289  Danazol
  DG01666  Progesterone receptor agonist
   D00289  Danazol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D00289  Danazol (JP18/USP/INN) <JP/US>
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D00289  Danazol (JP18/USP/INN) <JP/US>
    NR3C4 (AR)
     D00289  Danazol (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00289  Danazol
Other DBs
CAS: 17230-88-5
PubChem: 9153
PDB-CCD: QA1[PDBj]
LinkDB
KCF data

ATOM        25
            1   C1y C    21.8375  -16.0694
            2   C1y C    23.0058  -16.7704
            3   C1z C    20.6224  -16.7237
            4   C1x C    21.8375  -14.7142
            5   C1y C    24.1742  -16.0694
            6   C1x C    23.0058  -18.1257
            7   C2y C    20.6224  -18.1257
            8   C1x C    19.4541  -16.0694
            9   C1a C    20.6224  -15.3684
            10  C1x C    23.0058  -14.0599
            11  C1z C    24.1742  -14.7142
            12  C1x C    26.5576  -16.0694
            13  C1x C    21.7908  -18.7800
            14  C2x C    19.4541  -18.7800
            15  C8y C    18.2858  -16.7237
            16  C1z C    25.3892  -14.0599
            17  C1a C    24.1742  -13.4524
            18  C1x C    26.5576  -14.7609
            19  C8y C    18.2858  -18.1257
            20  C8x C    16.9772  -16.3031
            21  C3b C    26.6043  -13.2188
            22  O1a O    25.3892  -12.7046
            23  O2x O    16.9772  -18.4996
            24  N5x N    16.1828  -17.4247
            25  C3a C    27.7726  -12.3776
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 1 #Down
            21   16  22 1
            22   19  23 1
            23   20  24 2
            24   21  25 3
            25    7  13 1
            26   10  11 1
            27   15  19 2
            28   16  18 1
            29   23  24 1

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