KEGG   COMPOUND: C08161
Entry
C08161                      Compound                               
Name
Clomiphene citrate;
Clomifene citrate
Formula
C26H28ClNO. C6H8O7
Exact mass
597.2129
Mol weight
598.0831
Structure
Remark
Same as: D00962
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
      D00962  Clomiphene citrate (USP) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Selective Estrogen Receptor Modifying Agents
   Clomiphene
    D00962  Clomiphene citrate (USP)
 Infertility Agents
  Clomiphene
   D00962  Clomiphene citrate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00962  Clomiphene citrate (USP); Clomifene citrate (JP18)
Drug groups [BR:br08330]
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG00474  Clomifene
    D00962  Clomiphene citrate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00962  Clomiphene citrate (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00962  Clomifene citrate
  D00962  Clomifene citrate tablets
Other DBs
CAS: 50-41-9
PubChem: 10361
LinkDB
KCF data

ATOM        42
            1   C1d C    33.4276  -14.6455
            2   C1b C    32.1656  -15.3465
            3   C1b C    34.6195  -15.3465
            4   C6a C    34.1287  -13.3835
            5   O1a O    32.6564  -13.3835
            6   C6a C    30.9738  -14.6455
            7   C6a C    34.6195  -16.7487
            8   O6a O    33.3575  -12.1916
            9   O6a O    35.4608  -13.3835
            10  O6a O    29.7819  -15.3465
            11  O6a O    30.9738  -13.2433
            12  O6a O    35.8113  -17.3797
            13  O6a O    33.3575  -17.3797
            14  C8x C    13.0958  -15.8373
            15  C8x C    13.0958  -17.2395
            16  C8x C    14.2877  -17.9406
            17  C8x C    15.5496  -17.2395
            18  C8y C    15.5496  -15.8373
            19  C8x C    14.2877  -15.1362
            20  C8x C    17.9334  -17.2395
            21  C8y C    17.9334  -15.8373
            22  C2c C    16.7415  -15.1362
            23  C8x C    19.1953  -17.9406
            24  C8y C    20.3872  -17.2395
            25  C8x C    20.3872  -15.8373
            26  C8x C    19.1953  -15.1362
            27  C2c C    16.7415  -13.7340
            28  O2a O    21.6044  -17.9357
            29  C1b C    22.7947  -17.2418
            30  C1b C    23.9929  -17.9271
            31  N1c N    25.1760  -17.2376
            32  C1b C    26.3779  -17.9251
            33  C1a C    27.5592  -17.2366
            34  C1b C    25.1703  -15.8374
            35  C1a C    26.3701  -15.1381
            36  X   Cl   17.9558  -13.0329
            37  C8y C    15.5272  -13.0329
            38  C8x C    15.5272  -11.6309
            39  C8x C    14.3128  -10.9298
            40  C8x C    13.0985  -11.6309
            41  C8x C    13.0985  -13.0329
            42  C8x C    14.3128  -13.7340
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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