KEGG   DRUG: Estradiol acetateHelp
Entry
D04061                      Drug                                   

Name
Estradiol acetate (USAN);
Femring (TN)
Product
Formula
C20H26O3
Exact mass
314.1882
Mol weight
314.4186
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Enzyme substrate
 DG01633  CYP3A substrate
Remark
ATC code: G03CA03
Chemical structure group: DG00462
Product (DG00462): D00105<JP/US> D01413<JP/US> D04061<US> D04063<US> D07918<US>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Estrogen replacement therapy
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug 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
     G03CA03 Estradiol
      D04061  Estradiol acetate (USAN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Estradiol
    D04061  Estradiol acetate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D04061  Estradiol acetate (USAN) <US>
Drug classes of therapeutic agents [br08360.html]
 Endocrine and hormonal agents
  D04061
BRITE hierarchy
Other DBs
CAS: 4245-41-4
PubChem: 47206019
ChEMBL: CHEMBL1200430
DrugBank: DB00783
LigandBox: D04061
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1y C    24.1371  -17.4005
            2   C1y C    22.9558  -18.0789
            3   C1z C    24.1429  -16.0439
            4   C1x C    26.4819  -17.4297
            5   C1y C    21.7804  -17.3829
            6   C1x C    22.9558  -19.4413
            7   C1x C    22.9792  -15.3538
            8   C1y C    25.3299  -15.3772
            9   C1a C    24.1371  -14.6813
            10  C1x C    26.4996  -16.0730
            11  C8y C    20.5935  -18.0672
            12  C1x C    21.7921  -16.0262
            13  C1x C    21.7687  -20.1138
            14  O1a O    25.3242  -14.0089
            15  C8y C    20.5877  -19.4296
            16  C8x C    19.4123  -17.3829
            17  C8x C    19.4123  -20.1079
            18  C8x C    18.2369  -18.0672
            19  C8y C    18.2310  -19.4296
            20  O7a O    17.0439  -20.1079
            21  C7a C    15.8016  -19.3831
            22  C1a C    14.5971  -20.0715
            23  O6a O    15.8079  -17.9901
BOND        26
            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    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24   20  21 1
            25   21  22 1
            26   21  23 2

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