KEGG   DRUG: Estradiol dipropionateHelp
Entry
D01617                      Drug                                   

Name
Estradiol dipropionate (JAN);
Ovahormon (TN)
Formula
C24H32O4
Exact mass
384.2301
Mol weight
384.5085
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C13077
Therapeutic category: 2473
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
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
      D01617  Estradiol dipropionate (JAN)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Estradiol
    D01617  Estradiol dipropionate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2473  Estradiols
     D01617  Estradiol dipropionate (JAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D01617  Estradiol dipropionate (JAN)
Drug classes of therapeutic agents [br08360.html]
 Endocrine and hormonal agents
  D01617
BRITE hierarchy
Other DBs
CAS: 113-38-2
PubChem: 7848680
ChEBI: 31560
ChEMBL: CHEMBL1697791
DrugBank: DB00783
LigandBox: D01617
NIKKAJI: J5.131D
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    20.6500  -29.7500
            2   C8y C    20.6500  -31.1500
            3   C8x C    21.8400  -31.8500
            4   C8y C    23.0300  -31.1500
            5   C8y C    23.0300  -29.7500
            6   C8x C    21.8400  -28.9800
            7   C1x C    24.2900  -31.8500
            8   C1x C    25.4800  -31.1500
            9   C1y C    25.4800  -29.7500
            10  C1y C    24.2900  -28.9800
            11  C1y C    26.6700  -28.9800
            12  C1z C    26.6700  -27.5800
            13  C1x C    25.4800  -26.8800
            14  C1x C    24.2900  -27.5800
            15  O7a O    19.3900  -31.8500
            16  C1a C    26.6700  -26.1800
            17  C7a C    18.2000  -31.1500
            18  C1b C    17.0100  -31.7800
            19  O6a O    18.2000  -29.6800
            20  C1a C    15.8200  -31.1500
            21  C1x C    29.0949  -28.9800
            22  C1x C    29.0949  -27.5800
            23  C1y C    27.8824  -26.8800
            24  O7a O    27.8824  -25.4802
            25  C7a C    29.0780  -24.7898
            26  C1b C    30.2652  -25.4752
            27  C1a C    31.4566  -24.7872
            28  O6a O    29.0782  -23.3803
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            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 1
            18   12  16 1 #Up
            19   15  17 1
            20   17  18 1
            21   17  19 2
            22   18  20 1
            23   11  21 1
            24   21  22 1
            25   22  23 1
            26   12  23 1
            27   23  24 1 #Up
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   25  28 2

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