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Link to original content: http://www.kegg.jp/entry/D00105
KEGG DRUG: Estradiol
KEGG   DRUG: Estradiol
Entry
D00105                      Drug                                   
Name
Estradiol (JAN/USP/INN);
Climara (TN);
Divigel (TN);
Estrace (TN);
Estraderm (TN);
Estrasorb (TN);
Estring (TN);
Estrogel (TN);
Innofem (TN);
Vagifem (TN);
Vivelle (TN)
Product
CLIMARA (Bayer HealthCare Pharmaceuticals), DIVIGEL (Vertical Pharmaceuticals), ESTRADIOL (Trigen Laboratories), ESTRING (Pfizer Laboratories Div Pfizer), ESTRING (Pfizer Laboratories Div Pfizer), ESTROGEL (ASCEND Therapeutics US), IMVEXXY (Mayne Pharma LLC), IMVEXXY (Mayne Pharma), MENOSTAR (Bayer HealthCare Pharmaceuticals), MINIVELLE (Noven Therapeutics), VAGIFEM (Novo Nordisk), VIVELLE-DOT (Novartis Pharmaceuticals Corporation), VIVELLE-DOT (Sandoz)
  Generic
DOTTI (Amneal Pharmaceuticals LLC), DOTTI (Bryant Ranch Prepack), DOTTI (Bryant Ranch Prepack), DOTTI (Bryant Ranch Prepack), DOTTI (Bryant Ranch Prepack), DOTTI (Bryant Ranch Prepack), ESTRACE (A-S Medication Solutions), ESTRACE (Allergan), ESTRACE (Allergan), ESTRADIOL (A-S Medication Solutions), ESTRADIOL (A-S Medication Solutions), ESTRADIOL (A-S Medication Solutions), ESTRADIOL (A-S Medication Solutions), ESTRADIOL (A-S Medication Solutions), ESTRADIOL (A-S Medication Solutions), ESTRADIOL (A-S Medication Solutions), ESTRADIOL (ANI Pharmaceuticals), ESTRADIOL (ANI Pharmaceuticals), ESTRADIOL (ANI Pharmaceuticals), ESTRADIOL (Amneal Pharmaceuticals NY LLC), ESTRADIOL (Amneal Pharmaceuticals NY LLC), ESTRADIOL (Amneal Pharmaceuticals NY LLC), ESTRADIOL (Amneal Pharmaceuticals of New York LLC), ESTRADIOL (Asclemed USA), ESTRADIOL (Asclemed USA), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Bryant Ranch Prepack), ESTRADIOL (Direct Rx), ESTRADIOL (Direct_Rx), ESTRADIOL (Direct_Rx), ESTRADIOL (EPIC PHARMA), ESTRADIOL (Golden State Medical Supply), ESTRADIOL (NorthStar Rx LLC), ESTRADIOL (NorthStar Rx LLC), ESTRADIOL (Northwind Pharmaceuticals), ESTRADIOL (Northwind Pharmaceuticals), ESTRADIOL (Northwind Pharmaceuticals), ESTRADIOL (Northwind Pharmaceuticals), ESTRADIOL (Northwind Pharmaceuticals), ESTRADIOL (Noven Therapeutics), ESTRADIOL (NuCare Pharmaceuticals), ESTRADIOL (NuCare Pharmaceuticals), ESTRADIOL (NuCare Pharmaceuticals), ESTRADIOL (NuCare Pharmaceuticals), ESTRADIOL (NuCare Pharmaceuticals), ESTRADIOL (NuCare Pharmaceuticals), ESTRADIOL (PD-Rx Pharmaceuticals), ESTRADIOL (PD-Rx Pharmaceuticals), ESTRADIOL (PURACAP LABORATORIES), ESTRADIOL (Padagis Israel Pharmaceuticals), ESTRADIOL (PharmPak), ESTRADIOL (PharmPak), ESTRADIOL (Preferred Pharmaceuticals), ESTRADIOL (Preferred Pharmaceuticals), ESTRADIOL (Preferred Pharmaceuticals), ESTRADIOL (Preferred Pharmaceuticals), ESTRADIOL (Preferred Pharmaceuticals), ESTRADIOL (Preferred Pharmaceuticals), ESTRADIOL (Proficient Rx LP), ESTRADIOL (REMEDYREPACK), ESTRADIOL (REMEDYREPACK), ESTRADIOL (REMEDYREPACK), ESTRADIOL (REMEDYREPACK), ESTRADIOL (REMEDYREPACK), ESTRADIOL (REMEDYREPACK), ESTRADIOL (REMEDYREPACK), ESTRADIOL (RPK Pharmaceuticals), ESTRADIOL (RPK Pharmaceuticals), ESTRADIOL (RPK Pharmaceuticals), ESTRADIOL (Sandoz), ESTRADIOL (Solaris Pharma Corporation), ESTRADIOL (Teva Pharmaceuticals USA), ESTRADIOL (Teva Pharmaceuticals USA), ESTRADIOL (Xiromed), ESTRADIOL (Zydus Lifesciences Limited), ESTRADIOL (Zydus Lifesciences Limited), ESTRADIOL (Zydus Lifesciences Limited), ESTRADIOL (Zydus Pharmaceuticals USA), ESTRADIOL (Zydus Pharmaceuticals USA), ESTRADIOL (Zydus Pharmaceuticals USA), ESTRADIOL TRANSDERMAL SYSTEM (Sandoz), ESTRADIOL VAGINAL (A-S Medication Solutions), ESTRADIOL VAGINAL (A-S Medication Solutions), ESTRADIOL VAGINAL (AvKARE), ESTRADIOL VAGINAL (Bryant Ranch Prepack), ESTRADIOL VAGINAL (Bryant Ranch Prepack), ESTRADIOL VAGINAL (Padagis Israel Pharmaceuticals), ESTRADIOL VAGINAL CREAM (Prasco Laboratories), LYLLANA (Amneal Pharmaceuticals LLC), YUVAFEM (Amneal Pharmaceuticals LLC), YUVAFEM (AvKARE)
Formula
C18H24O2
Exact mass
272.1776
Mol weight
272.38
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C00951
Therapeutic category: 2473
ATC code: G03CA03
Chemical structure group: DG00462
Product (DG00462): D00105<JP/US> D01413<JP/US> D04061<US> D04063<US> D07918<US>
Product (mixture): D04459<US> D09187<JP/US> D09188<JP/US> D12226<US> D12497<US>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
  Disease
Postmenopausal osteoporosis [DS:H01593]
Primary ovarian failure [DS:H00627]
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07047  Osteoporosis drugs
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
      D00105  Estradiol (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Estradiol
    D00105  Estradiol (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2473  Estradiols
     D00105  Estradiol (JAN/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Drugs for women
  51 Other drugs for women
   D00105  Estradiol (JAN/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Estradiol
    D00105  Estradiol (JAN/USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Estradiol
    D00105  Estradiol (JAN/USP/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00462  Estradiol
    D00105  Estradiol
  DG01584  Estrogen receptor agonist
   DG00462  Estradiol
    D00105  Estradiol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00105  Estradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00462  Estradiol
     D00105  Estradiol
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG01986  Estrogen
   D00105  Estradiol
  DG01584  Estrogen receptor agonist
   D00105  Estradiol
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   D00105  Estradiol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00105  Estradiol (JAN/USP/INN) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00105
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00462  Estradiol
  DG01584  Estrogen receptor agonist
   DG00462  Estradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00462  Estradiol
Other DBs
CAS: 50-28-2
PubChem: 7847173
ChEBI: 16469
PDB-CCD: EST[PDBj]
LigandBox: D00105
NIKKAJI: J4.100I
LinkDB
KCF data

ATOM        20
            1   C8x C    19.0779  -11.8363
            2   C8y C    19.0779  -13.2006
            3   C8x C    20.2594  -13.8828
            4   C8y C    21.4411  -13.2006
            5   C8y C    21.4411  -11.8363
            6   C8x C    20.2594  -11.1541
            7   C1x C    22.6226  -13.8828
            8   C1x C    23.8041  -13.2006
            9   C1y C    23.8041  -11.8363
            10  C1y C    22.6226  -11.1541
            11  C1y C    24.9857  -11.1541
            12  C1z C    24.9857   -9.7898
            13  C1x C    23.8041   -9.1076
            14  C1x C    22.6226   -9.7898
            15  C1x C    27.3487  -11.1541
            16  C1x C    27.3487   -9.7898
            17  C1y C    26.1672   -9.1076
            18  O1a O    26.1672   -7.7433
            19  O1a O    17.8964  -13.8828
            20  C1a C    24.9857   -8.4255
BOND        23
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22    2  19 1
            23   12  20 1 #Up

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