KEGG   COMPOUND: C08145
Entry
C08145                      Compound                               
Name
Diethylstilbestrol diphosphate;
Fosfestrol;
Diethylstilbestrol bisphosphate
Formula
C18H22O8P2
Exact mass
428.079
Mol weight
428.31
Structure
Remark
Same as: D00946
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
    G03CB Synthetic estrogens, plain
     G03CB02 Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
    G03CC Estrogens, combinations with other drugs
     G03CC05 Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AA Estrogens
     L02AA01 Diethylstilbestrol
      D00946  Diethylstilbestrol diphosphate (USP)
     L02AA04 Fosfestrol
      D00946  Diethylstilbestrol diphosphate (USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01584  Estrogen receptor agonist
   DG00466  Diethylstilbestrol
    D00946  Diethylstilbestrol diphosphate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00946  Diethylstilbestrol diphosphate (USP)
Prodrugs [br08324.html]
 D00946
Prodrugs [br08324.html]
 C08145
Other DBs
CAS: 522-40-7
PubChem: 10345
ChEBI: 4532
NIKKAJI: J6.623K
LinkDB
KCF data

ATOM        28
            1   C2c C    28.2459  -14.3386
            2   C2c C    28.2576  -15.7316
            3   C8y C    27.0277  -13.6450
            4   C1b C    29.4583  -13.6334
            5   C8y C    29.4699  -16.4311
            6   C1b C    27.0509  -16.4311
            7   C8x C    25.8153  -14.3386
            8   C8x C    27.0277  -12.2401
            9   C1a C    30.6709  -14.3269
            10  C8x C    29.4699  -17.8301
            11  C8x C    30.6825  -15.7259
            12  C1a C    25.8386  -15.7375
            13  C8x C    24.6028  -13.6450
            14  C8x C    25.8153  -11.5348
            15  C8x C    30.6883  -18.5296
            16  C8x C    31.9008  -16.4253
            17  C8y C    24.6028  -12.2401
            18  C8y C    31.9008  -17.8243
            19  O2b O    23.3844  -11.5348
            20  O2b O    33.1131  -18.5296
            21  P1b P    22.1721  -12.2284
            22  P1b P    34.3139  -17.8243
            23  O1c O    20.9607  -12.9278
            24  O1c O    21.4803  -11.0247
            25  O1c O    22.8744  -13.4504
            26  O1c O    35.5254  -17.1249
            27  O1c O    33.6227  -16.6367
            28  O1c O    35.0299  -19.0545
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   14  17 1
            23   16  18 1
            24   21  23 2
            25   21  24 1
            26   21  25 1
            27   22  26 2
            28   22  27 1
            29   22  28 1

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