KEGG   DRUG: NorbolethoneHelp
Entry
D05204                      Drug                                   

Name
Norbolethone (USAN)
Formula
C21H32O2
Exact mass
316.2402
Mol weight
316.4776
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Efficacy
Anabolic
Comment
Estren derivative
Interaction
Drug interaction
Other DBs
CAS: 1235-15-0
PubChem: 47206923
ChEMBL: CHEMBL2105134
LigandBox: D05204
NIKKAJI: J10.623B
KCF data Show

ATOM        23
            1   C1x C    22.8771  -19.5079
            2   C5x C    22.8771  -20.9062
            3   C2x C    24.0880  -21.6053
            4   C2y C    25.2990  -20.9062
            5   C1y C    25.2990  -19.5079
            6   C1x C    24.0880  -18.8087
            7   C1x C    26.5099  -21.6053
            8   C1x C    27.7208  -20.9062
            9   C1y C    27.7208  -19.5079
            10  C1y C    26.5099  -18.8087
            11  C1y C    28.9318  -18.8087
            12  C1z C    28.9318  -17.4105
            13  C1x C    27.7208  -16.7113
            14  C1x C    26.5099  -17.4105
            15  O5x O    21.6662  -21.6053
            16  C1x C    31.3567  -18.8087
            17  C1x C    31.3567  -17.4105
            18  C1z C    30.1442  -16.7105
            19  C1b C    30.1445  -15.3302
            20  C1b C    28.9318  -16.0105
            21  C1a C    31.3762  -14.6192
            22  C1a C    27.7194  -15.3105
            23  O1a O    31.4965  -16.3482
BOND        26
            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   11  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   18  19 1 #Down
            23   12  20 1 #Up
            24   19  21 1
            25   20  22 1
            26   18  23 1 #Up

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