KEGG   COMPOUND: C06917Help
Entry
C06917                      Compound                               

Name
Clomiphene
Formula
C26H28ClNO
Exact mass
405.1859
Mol weight
405.9596
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03G GONADOTROPINS AND OTHER OVULATION STIMULANTS
    G03GB Ovulation stimulants, synthetic
     G03GB02 Clomifene
      D07726  Clomifene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Clomifene
      D07726  Clomifene (INN)
    estrogen receptor 2
     Clomifene
      D07726  Clomifene (INN)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Stilbenoids
   Stilbenes
    D07726  Clomifene (INN)
BRITE hierarchy
Other DBs
CAS: 
911-45-5
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8x C    11.4249  -17.5983
            2   C8x C    11.4249  -19.0014
            3   C8x C    12.6176  -19.7030
            4   C8x C    13.8804  -19.0014
            5   C8y C    13.8804  -17.5983
            6   C8x C    12.6176  -16.8967
            7   C8x C    16.2658  -19.0014
            8   C8y C    16.2658  -17.5983
            9   C2c C    15.0731  -16.8967
            10  C8x C    17.5286  -19.7030
            11  C8y C    18.7213  -19.0014
            12  C8x C    18.7213  -17.5983
            13  C8x C    17.5286  -16.8967
            14  C2c C    15.0731  -15.4935
            15  O2a O    19.9394  -19.6981
            16  C1b C    21.1305  -19.0037
            17  C1b C    22.3295  -19.6895
            18  N1c N    23.5134  -18.9995
            19  C1b C    24.7162  -19.6875
            20  C1a C    25.8983  -18.9985
            21  C1b C    23.5077  -17.5984
            22  C1a C    24.7084  -16.8986
            23  C8y C    16.2882  -14.7919
            24  X   Cl   13.8580  -14.7919
            25  C8x C    17.5072  -15.4958
            26  C8x C    18.7197  -14.7960
            27  C8x C    18.7198  -13.3960
            28  C8x C    17.5009  -12.6921
            29  C8x C    16.2884  -13.3919
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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   18  21 1
            23   21  22 1
            24   14  23 1
            25   14  24 1
            26   23  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   23  29 1

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