KEGG   DRUG: Clostebol acetate
Entry
D07732                      Drug                                   
Name
Clostebol acetate (BAN);
Clostebol 17 beta-acetate;
Trofodermin (TN)
Formula
C21H29ClO3
Exact mass
364.1805
Mol weight
364.9062
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Remark
Same as: C18374
Chemical structure group: DG01632
Efficacy
Anabolic
Comment
Androstene derivative
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG01632  Clostebol
     D07732  Clostebol acetate
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG01632  Clostebol
Other DBs
CAS: 855-19-6
PubChem: 51092028
ChEBI: 81712
LigandBox: D07732
NIKKAJI: J14.025B
KCF data

ATOM        25
            1   C1x C    22.8200  -18.6900
            2   C5x C    22.8200  -20.0900
            3   C2y C    24.0100  -20.7200
            4   C2y C    25.1300  -20.0900
            5   C1z C    25.1300  -18.6900
            6   C1x C    24.0100  -18.0600
            7   C1x C    26.3200  -20.7200
            8   C1x C    27.5100  -20.0900
            9   C1y C    27.5100  -18.6900
            10  C1y C    26.3200  -18.0600
            11  C1y C    28.7000  -18.0600
            12  C1z C    28.7000  -16.6600
            13  C1x C    27.5100  -15.9600
            14  C1x C    26.3200  -16.6600
            15  O5x O    21.6300  -20.7200
            16  C1a C    25.1300  -17.3600
            17  C1a C    28.7000  -15.3300
            18  X   Cl   24.0100  -22.1200
            19  C1x C    31.0800  -18.0600
            20  C1x C    31.0800  -16.6600
            21  C1y C    29.8900  -15.9600
            22  O7a O    29.8900  -14.6300
            23  C7a C    31.1024  -13.9300
            24  C1a C    32.2979  -14.6204
            25  O6a O    31.1025  -12.5302
BOND        28
            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 1
            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    2  15 2
            18    5  16 1 #Up
            19   12  17 1 #Up
            20    3  18 1
            21   11  19 1
            22   19  20 1
            23   20  21 1
            24   12  21 1
            25   21  22 1 #Up
            26   22  23 1
            27   23  24 1
            28   23  25 2

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