KEGG   COMPOUND: C18375
Entry
C18375                      Compound                               
Name
Osaterone acetate
Formula
C22H27ClO5
Exact mass
406.1547
Mol weight
406.8998
Structure
Remark
Same as: D11105
Brite
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  961  Hormone preparations (except agents for breeding and external use)
   9619  Other hormone preparations
    C18375  Osaterone acetate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D11105  Osaterone acetate (JAN)
Other DBs
CAS: 105149-00-6
PubChem: 124489049
ChEBI: 81713
LinkDB
KCF data

ATOM        28
            1   O7x O    13.8910  -16.8928
            2   C7x C    13.8910  -18.2626
            3   C2x C    15.0772  -18.9475
            4   C2y C    16.2635  -18.2626
            5   C1z C    16.2635  -16.8928
            6   C1x C    15.0772  -16.2079
            7   C2y C    17.4497  -18.9475
            8   C2x C    18.6359  -18.2626
            9   C1y C    18.6359  -16.8928
            10  C1y C    17.4497  -16.2079
            11  C1y C    19.8223  -16.2079
            12  C1z C    19.8223  -14.8382
            13  C1x C    18.6359  -14.1533
            14  C1x C    17.4497  -14.8382
            15  C1x C    22.1947  -16.2079
            16  C1x C    22.1947  -14.8382
            17  C1z C    21.0085  -14.1533
            18  O6a O    12.7048  -18.9475
            19  X   Cl   17.4497  -20.3172
            20  C1a C    16.2635  -15.5231
            21  C1a C    19.8223  -13.4684
            22  C5a C    21.0085  -12.7835
            23  O5a O    22.1987  -12.0964
            24  C1a C    19.8262  -12.1009
            25  O7a O    22.1947  -13.4684
            26  C7a C    23.3810  -14.1533
            27  C1a C    24.5894  -13.4553
            28  O6a O    23.3811  -15.5228
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    7  19 1
            23    5  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26   22  23 2
            27   22  24 1
            28   17  25 1 #Down
            29   25  26 1
            30   26  27 1
            31   26  28 2

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