KEGG   COMPOUND: C16546
Entry
C16546                      Compound                               
Name
N-Desmethyltamoxifen
Formula
C25H27NO
Exact mass
357.2093
Mol weight
357.488
Structure
Reaction
R08268 R08270 R08272 R08274
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.14.1       1.14.14.-
Other DBs
CAS: 31750-48-8
PubChem: 51090875
ChEBI: 80554
PDB-CCD: QBN[PDBj]
NIKKAJI: J90.393K
LinkDB
KCF data

ATOM        27
            1   C2c C    23.6450  -20.2917
            2   C2c C    23.6450  -18.8923
            3   C8y C    24.8345  -20.9914
            4   C8y C    22.3856  -21.0614
            5   C8y C    24.8345  -18.1926
            6   C1b C    22.3856  -18.2626
            7   C8x C    24.8345  -22.3908
            8   C8x C    26.0239  -20.2917
            9   C8x C    22.4555  -22.4608
            10  C8x C    21.1961  -20.3617
            11  C8x C    24.8345  -16.7934
            12  C8x C    26.0239  -18.8923
            13  C1a C    21.1961  -18.9623
            14  C8x C    26.0938  -23.0905
            15  C8x C    27.2833  -20.9914
            16  C8x C    21.2661  -23.1605
            17  C8x C    20.0066  -21.0614
            18  C8x C    26.0239  -16.0937
            19  C8x C    27.2133  -18.1926
            20  C8y C    27.2833  -22.3908
            21  C8x C    20.0066  -22.4608
            22  C8x C    27.2133  -16.7934
            23  O2a O    28.4728  -23.0905
            24  C1b C    29.7322  -22.3208
            25  C1b C    30.9217  -23.0205
            26  N1b N    32.1112  -22.3208
            27  C1a C    33.3705  -23.0205
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 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   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   15  20 2
            28   17  21 2
            29   19  22 2

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