KEGG   DRUG: D00962Help
Entry
D00962                      Drug                                   

Name
Clomifene citrate (JP16);
Clomiphene citrate (USP);
Clomid (TN);
Serophene (TN)
Product
  Generic
Formula
C26H28ClNO. C6H8O7
Exact mass
597.2129
Mol weight
598.0831
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-estrogen
Remark
Same as: 
Therapeutic category: 
ATC code: 
Target
estrogen receptor 1 agonist/antagonist [HSA:2099] [KO:K08550];
estrogen receptor 2 agonist/antagonist [HSA:2100] [KO:K08551]
Interaction
Drug interaction
Structure map
Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00962  Clomifene citrate (JP16); Clomiphene citrate (USP)
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
      D00962  Clomifene citrate (JP16); Clomiphene citrate (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1 [HSA:2099] [KO:K08550]
     Clomifene [ATC:G03GB02]
      D00962  Clomiphene citrate (USP)
    estrogen receptor 2 [HSA:2100] [KO:K08551]
     Clomifene [ATC:G03GB02]
      D00962  Clomiphene citrate (USP)
BRITE hierarchy
Other DBs
CAS: 
50-41-9
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        42
            1   C1d C    35.8776  -18.6355
            2   C1b C    34.6156  -19.3365
            3   C1b C    37.0695  -19.3365
            4   C6a C    36.5787  -17.3735
            5   O1a O    35.1064  -17.3735
            6   C6a C    33.4238  -18.6355
            7   C6a C    37.0695  -20.7387
            8   O6a O    35.8075  -16.1816
            9   O6a O    37.9108  -17.3735
            10  O6a O    32.2319  -19.3365
            11  O6a O    33.4238  -17.2333
            12  O6a O    38.2613  -21.3697
            13  O6a O    35.8075  -21.3697
            14  C8x C    15.5458  -19.8273
            15  C8x C    15.5458  -21.2295
            16  C8x C    16.7377  -21.9306
            17  C8x C    17.9996  -21.2295
            18  C8y C    17.9996  -19.8273
            19  C8x C    16.7377  -19.1262
            20  C8x C    20.3834  -21.2295
            21  C8y C    20.3834  -19.8273
            22  C2c C    19.1915  -19.1262
            23  C8x C    21.6453  -21.9306
            24  C8y C    22.8372  -21.2295
            25  C8x C    22.8372  -19.8273
            26  C8x C    21.6453  -19.1262
            27  C2c C    19.1915  -17.7240
            28  O2a O    24.0544  -21.9257
            29  C1b C    25.2447  -21.2318
            30  C1b C    26.4429  -21.9171
            31  N1c N    27.6260  -21.2276
            32  C1b C    28.8279  -21.9151
            33  C1a C    30.0092  -21.2266
            34  C1b C    27.6203  -19.8274
            35  C1a C    28.8201  -19.1281
            36  X   Cl   17.9772  -17.0229
            37  C8y C    20.4013  -17.0255
            38  C8x C    21.5835  -17.7081
            39  C8x C    22.7960  -17.0082
            40  C8x C    22.7960  -15.6082
            41  C8x C    21.6137  -14.9256
            42  C8x C    20.4013  -15.6255
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   20  21 1
            20   21  22 1
            21   18  22 1
            22   20  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   21  26 2
            27   22  27 2
            28   24  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   31  34 1
            35   34  35 1
            36   27  36 1
            37   27  37 1
            38   37  38 2
            39   38  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   37  42 1

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