KEGG   DRUG: Estriol sodium succinate
Entry
D07921                      Drug                                   
Name
Estriol sodium succinate (BAN);
Estriol 16alpha, 17beta-di (sodium succinate);
Styptanon (TN)
Formula
C26H30O9. 2Na
Exact mass
532.1685
Mol weight
532.4905
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Remark
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA04 Estriol
      D07921  Estriol sodium succinate (BAN)
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D07921  Estriol sodium succinate (BAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
    D07921  Estriol sodium succinate
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
    D07921  Estriol sodium succinate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D07921  Estriol sodium succinate (BAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00463  Estriol
  DG01584  Estrogen receptor agonist
   DG00463  Estriol
Other DBs
CAS: 113-22-4
PubChem: 96024617
LigandBox: D07921
LinkDB
KCF data

ATOM        37
            1   C1y C    24.1500  -21.2100
            2   C1y C    22.8900  -21.9100
            3   C1z C    24.1500  -19.8100
            4   C1x C    26.5300  -21.2100
            5   C1y C    21.7000  -21.2100
            6   C1x C    22.8900  -23.3100
            7   C1y C    25.3400  -19.0400
            8   C1x C    22.8900  -19.1800
            9   C1a C    24.0800  -18.3400
            10  C1y C    26.5300  -19.8100
            11  C8y C    20.4400  -21.9100
            12  C1x C    21.7000  -19.8100
            13  C1x C    21.7000  -24.0100
            14  O7a O    25.3400  -17.4300
            15  O7a O    27.7900  -19.1800
            16  C8y C    20.4400  -23.3100
            17  C8x C    19.3200  -21.2100
            18  C8x C    19.3200  -24.0100
            19  C8x C    18.1300  -21.9100
            20  C8y C    18.1300  -23.3100
            21  O1a O    16.9400  -24.0100
            22  C7a C    28.9800  -19.8800
            23  C1b C    30.1700  -19.2500
            24  C1b C    31.4300  -20.0200
            25  C6a C    32.6900  -19.3200
            26  O6a O    33.9500  -20.0900 #-
            27  O6a O    32.6900  -17.9200
            28  O6a O    28.9800  -21.3500
            29  C7a C    26.5524  -16.7300
            30  C1b C    27.7479  -17.4204
            31  O6a O    26.5525  -15.3302
            32  C1b C    28.9353  -16.7349
            33  C6a C    30.1265  -17.4229
            34  O6a O    31.3160  -16.7362 #-
            35  O6a O    30.1265  -18.8297
            36  Z   Na   30.9400  -15.4000 #+
            37  Z   Na   35.7700  -20.2300 #+
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   10  15 1 #Down
            15   11  16 2
            16   11  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    7  10 1
            22    8  12 1
            23   13  16 1
            24   19  20 1
            25   15  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   22  28 2
            32   14  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2

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