KEGG   COMPOUND: C12729Help
Entry
C12729                      Compound                               

Name
Chlormadinone acetate
Formula
C23H29ClO4
Exact mass
404.1754
Mol weight
404.927
Structure
Mol fileKCF fileDB search
Remark
Same as: D01299
Brite
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    progesterone receptor
     C12729  Chlormadinone acetate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03D PROGESTOGENS
    G03DB Pregnadien derivatives
     G03DB06 Chlormadinone
      D01299  Chlormadinone acetate (JP17/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2478  Synthetic progestins
     D01299  Chlormadinone acetate (JP17/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D01299  Chlormadinone acetate (JP17/USAN) <JP>
    NR3C4 (AR)
     D01299  Chlormadinone acetate (JP17/USAN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01299  Chlormadinone acetate
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  941  Hormone preparations (except posterior-pituitary hormone and preparations)
   9415  Luteinizing hormone and preparations
    C12729  Chlormadinone acetate
BRITE hierarchy
Other DBs
CAS: 302-22-7
PubChem: 583118
ChEBI: 31394
ChEMBL: CHEMBL110691
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1z C    29.5135  -13.9755
            2   C1z C    28.3251  -14.6454
            3   C1x C    30.6906  -14.6571
            4   O7a O    30.6906  -13.2820
            5   C5a C    29.5021  -12.6004
            6   C1y C    28.3834  -16.0148
            7   C1x C    27.1539  -13.9579
            8   C1a C    28.3777  -13.2763
            9   C1x C    30.6790  -16.0264
            10  C7a C    31.8793  -13.9638
            11  C1a C    28.3018  -11.9069
            12  O5a O    30.6849  -11.9012
            13  C1y C    27.1306  -16.6964
            14  C1x C    25.9594  -14.6280
            15  C1a C    33.0620  -13.2763
            16  O6a O    31.8735  -15.3389
            17  C1y C    25.9478  -15.9972
            18  C2x C    27.1306  -18.0657
            19  C1z C    24.7591  -16.6790
            20  C2y C    25.9361  -18.7474
            21  C2y C    24.7534  -18.0541
            22  C1x C    23.5765  -15.9915
            23  C1a C    24.7477  -15.3097
            24  X   Cl   25.9245  -20.1167
            25  C2x C    23.5765  -18.7474
            26  C1x C    22.3820  -16.6790
            27  C5x C    22.3820  -18.0541
            28  O5x O    21.1933  -18.7357
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            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    5  12 2
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   10  16 2
            16   13  17 1
            17   13  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 1
            21   19  22 1
            22   19  23 1 #Up
            23   20  24 1
            24   21  25 2
            25   22  26 1
            26   25  27 1
            27   27  28 2
            28    6   9 1
            29   14  17 1
            30   20  21 1
            31   26  27 1

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