KEGG   COMPOUND: C14296
Entry
C14296                      Compound                               
Name
Droloxifene;
3-Hydroxytamoxifen
Formula
C26H29NO2
Exact mass
387.2198
Mol weight
387.514
Structure
Remark
Same as: D03911
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG01620  Tamoxifene-type antineoplastic
    DG01265  Droloxifene
     D03911  Droloxifene
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG01265  Droloxifene
    D03911  Droloxifene
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D03911  Droloxifene (USAN/INN)
Other DBs
CAS: 82413-20-5
PubChem: 17395296
ChEBI: 34731
NIKKAJI: J33.138D
LinkDB
KCF data

ATOM        29
            1   C8y C    24.0555  -16.8027
            2   C8x C    24.0555  -18.2073
            3   C8x C    25.2719  -18.9096
            4   C8x C    26.4885  -18.2073
            5   C8y C    26.4885  -16.8027
            6   C8x C    25.2719  -16.1004
            7   C8x C    28.9213  -18.2073
            8   C8y C    28.9213  -16.8027
            9   C2c C    27.7049  -16.1004
            10  C8x C    30.1378  -18.9096
            11  C8y C    31.3542  -18.2073
            12  C8x C    31.3542  -16.8027
            13  C8x C    30.1378  -16.1004
            14  O1a O    22.8391  -16.1004
            15  C2c C    27.7049  -14.6957
            16  C8y C    28.9234  -13.9922
            17  C1b C    26.4905  -13.9946
            18  C1a C    25.2920  -14.6867
            19  C8x C    30.1239  -14.6855
            20  C8x C    31.3404  -13.9833
            21  C8x C    31.3405  -12.5786
            22  C8x C    30.1400  -11.8854
            23  C8x C    28.9235  -12.5875
            24  O2a O    32.5748  -18.9119
            25  C1b C    33.7762  -18.2182
            26  C1b C    34.9665  -18.9053
            27  N1c N    36.1622  -18.2147
            28  C1a C    37.3554  -18.9035
            29  C1a C    36.1622  -16.8030
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    1  14 1
            16    9  15 2
            17   15  16 1
            18   15  17 1
            19   17  18 1
            20   16  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   16  23 1
            26   11  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

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