KEGG   COMPOUND: C14640
Entry
C14640                      Compound                               
Name
Estradiol 17beta-cyclopentylpropionate;
Estradiol cypionate
Formula
C26H36O3
Exact mass
396.2664
Mol weight
396.5622
Structure
Remark
Same as: D04063
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
      D04063  Estradiol cypionate (USP) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Estradiol
    D04063  Estradiol cypionate (USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00462  Estradiol
    D04063  Estradiol cypionate
  DG01584  Estrogen receptor agonist
   DG00462  Estradiol
    D04063  Estradiol cypionate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00462  Estradiol
     D04063  Estradiol cypionate
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG01986  Estrogen
   D04063  Estradiol cypionate
  DG01584  Estrogen receptor agonist
   D04063  Estradiol cypionate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D04063  Estradiol cypionate (USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04063
Other DBs
CAS: 313-06-4
PubChem: 17395640
ChEBI: 34745
NIKKAJI: J5.661H
LinkDB
KCF data

ATOM        29
            1   C8x C    23.4663  -17.3715
            2   C8y C    23.4663  -18.7725
            3   C8x C    24.6796  -19.4729
            4   C8y C    25.8927  -18.7725
            5   C8y C    25.8927  -17.3715
            6   C8x C    24.6796  -16.6711
            7   C1x C    27.1059  -19.4729
            8   C1x C    28.3192  -18.7725
            9   C1y C    28.3192  -17.3715
            10  C1y C    27.1059  -16.6711
            11  C1y C    29.5325  -16.6711
            12  C1z C    29.5325  -15.2701
            13  C1x C    28.3192  -14.5697
            14  C1x C    27.1059  -15.2701
            15  C1x C    30.8648  -17.1040
            16  C1x C    31.6883  -15.9707
            17  C1y C    30.8648  -14.8372
            18  O1a O    22.2531  -19.4729
            19  C1a C    29.5325  -13.8692
            20  O7a O    30.8648  -13.4363
            21  C7a C    32.0914  -12.7279
            22  C1b C    33.3053  -13.4283
            23  C1b C    34.4844  -12.7473
            24  C1y C    35.6813  -13.4382
            25  O6a O    32.0910  -11.3470
            26  C1x C    36.1126  -14.7718
            27  C1x C    37.5203  -14.7729
            28  C1x C    37.9564  -13.4344
            29  C1x C    36.8181  -12.6061
BOND        33
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1
            22   12  19 1 #Up
            23   17  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   21  25 2
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   24  29 1

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