KEGG   DRUG: Estrazinol hydrobromide
Entry
D04068                      Drug                                   
Name
Estrazinol hydrobromide (USAN)
Formula
C20H25NO2. HBr
Exact mass
391.1147
Mol weight
392.3299
Structure
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Efficacy
Menstruation disorder agent
Comment
Estrogen
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   D04068  Estrazinol hydrobromide
  DG01584  Estrogen receptor agonist
   D04068  Estrazinol hydrobromide
Other DBs
CAS: 15179-97-2
PubChem: 47206025
LigandBox: D04068
LinkDB
KCF data

ATOM        24
            1   X   Br   40.5902  -35.9028
            2   C8x C    25.6900  -36.3300
            3   C8y C    25.6900  -37.7300
            4   C8x C    26.9024  -38.4300
            5   C8y C    28.1149  -37.7300
            6   C8y C    28.1149  -36.3300
            7   C8x C    26.9024  -35.6300
            8   C1x C    29.3273  -38.4300
            9   C1x C    30.5397  -37.7300
            10  N1y N    30.5397  -36.3300
            11  C1y C    29.3273  -35.6300
            12  C1y C    31.7522  -35.6300
            13  C1z C    31.7522  -34.2300
            14  C1x C    30.5397  -33.5300
            15  C1x C    29.3273  -34.2300
            16  C1x C    34.1770  -35.6300
            17  C1x C    34.1770  -34.2300
            18  C1z C    32.9646  -33.5300
            19  O1a O    32.9646  -32.1300
            20  C1a C    31.7522  -32.8300
            21  C3b C    34.1770  -32.8300
            22  C3a C    35.3895  -32.1300
            23  O2a O    24.4776  -38.4300
            24  C1a C    23.2821  -37.7396
BOND        26
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   18  19 1 #Up
            22   13  20 1 #Up
            23   18  21 1 #Down
            24   21  22 3
            25    3  23 1
            26   23  24 1

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