KEGG   COMPOUND: C16547Help
Entry
C16547                      Compound                               

Name
Endoxifen;
4-Hydroxy-N-desmethyltamoxifen
Formula
C25H27NO2
Exact mass
373.2042
Mol weight
373.4874
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
map01522  Endocrine resistance
Enzyme
1.14.13.-       1.14.14.1
Other DBs
CAS: 112093-28-4
PubChem: 51090876
ChEBI: 80555
ChEMBL: CHEMBL1093458
PDB-CCD: 9XY[PDBj]
NIKKAJI: J393.650C
LinkDB All DBs
KCF data Show

ATOM        28
            1   C2c C    16.1550  -16.8617
            2   C2c C    16.1550  -15.4623
            3   C8y C    17.3445  -17.5614
            4   C8y C    14.8956  -17.6314
            5   C8y C    17.3445  -14.7626
            6   C1b C    14.8956  -14.8326
            7   C8x C    17.3445  -18.9608
            8   C8x C    18.5339  -16.8617
            9   C8x C    14.8955  -19.0308
            10  C8x C    13.7061  -16.9317
            11  C8x C    17.3445  -13.3634
            12  C8x C    18.5339  -15.4623
            13  C1a C    13.7061  -15.5323
            14  C8x C    18.6038  -19.6605
            15  C8x C    19.7933  -17.5614
            16  C8x C    13.7761  -19.7305
            17  C8x C    12.5166  -17.6314
            18  C8x C    18.5339  -12.6637
            19  C8x C    19.7233  -14.7626
            20  C8y C    19.7933  -18.9608
            21  C8y C    12.5166  -19.0308
            22  C8x C    19.7233  -13.3634
            23  O2a O    20.9828  -19.6605
            24  O1a O    11.3271  -19.7305
            25  C1b C    22.2422  -18.8908
            26  C1b C    23.4317  -19.5905
            27  N1b N    24.6212  -18.8908
            28  C1a C    25.8805  -19.5905
BOND        30
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15    9  16 2
            16   10  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   15  20 2
            29   17  21 2
            30   19  22 2

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