KEGG   COMPOUND: C07534Help
Entry
C07534                      Compound                               

Name
Ethynyl estradiol;
17alpha-Ethinyl estradiol;
Ethinyl estradiol;
Ethinylestradiol
Formula
C20H24O2
Exact mass
296.1776
Mol weight
296.4034
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C07534  17alpha-Ethinyl estradiol
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
     G03CA01 Ethinylestradiol
      D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AA Estrogens
     L02AA03 Ethinylestradiol
      D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Ethinyl estradiol
    D00554  Ethinylestradiol (JP16/INN); Ethinyl estradiol (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2474  Ethinylestradiols
     D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
Classification of Japanese OTC drugs [BR:br08313]
 Drugs for women
  51 Other drugs for women
   D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Ethinylestradiol
    D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ethinylestradiol
    D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Ethinylestradiol
      D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
    estrogen receptor 2
     Ethinylestradiol
      D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A4
   Ethinylestradiol
    D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
 CYP substrates
  CYP3A4
   Ethinylestradiol
    D00554  Ethinylestradiol (JP17/INN); Ethinyl estradiol (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00554  Ethinylestradiol
  D00554  Ethinylestradiol tablets
Antineoplastics [br08340.html]
 D00554
Endocrine and hormonal agents [br08373.html]
 Hormone related agents
  D00554
BRITE hierarchy
Other DBs
CAS: 
57-63-6
PubChem: 
ChEBI: 
LIPIDMAPS: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1y C    23.6148  -17.2960
            2   C1z C    23.6031  -15.9647
            3   C1y C    22.4587  -17.9909
            4   C1x C    25.9328  -17.2726
            5   C1z C    24.7534  -15.2815
            6   C1x C    22.4295  -15.3048
            7   C1a C    23.5565  -14.6158
            8   C1y C    21.2967  -17.3310
            9   C1x C    22.4878  -19.3338
            10  C1x C    25.9153  -15.9356
            11  C3b C    25.8044  -14.6158
            12  C1x C    21.2791  -15.9938
            13  C8y C    20.1405  -18.0258
            14  C1x C    21.3318  -20.0345
            15  C3a C    26.8612  -13.9444
            16  C8y C    20.1582  -19.3687
            17  C8x C    18.9495  -17.3718
            18  C8x C    19.0079  -20.0811
            19  C8x C    17.7876  -18.0725
            20  C8y C    17.8167  -19.4331
            21  O1a O    16.6607  -20.1337
            22  O1a O    24.7534  -13.6015
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14   11  15 3
            15   13  16 2
            16   13  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    5  10 1
            22    8  12 1
            23   14  16 1
            24   19  20 1
            25    5  22 1 #Up

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