KEGG   COMPOUND: C16545
Entry
C16545                      Compound                               
Name
Tamoxifen N-oxide
Formula
C26H29NO2
Exact mass
387.2198
Mol weight
387.514
Structure
Reaction
R08266
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.13.8
Other DBs
CAS: 75504-34-6
PubChem: 51090874
ChEBI: 63825
NIKKAJI: J365.967D
LinkDB
KCF data

ATOM        29
            1   C8x C    26.7409  -21.0005
            2   C8y C    26.7409  -22.4006
            3   C8x C    25.5509  -23.1006
            4   C8x C    24.2909  -22.4006
            5   C8y C    24.2909  -21.0005
            6   C8x C    25.5509  -20.3005
            7   C8x C    21.8408  -22.4006
            8   C8y C    21.8408  -21.0005
            9   C2c C    23.1008  -20.3005
            10  C8x C    20.6508  -23.1006
            11  C8x C    19.4607  -22.4006
            12  C8x C    19.4607  -21.0005
            13  C8x C    20.6508  -20.3005
            14  C2c C    23.1008  -18.9005
            15  C1b C    21.8408  -18.2005
            16  C8y C    24.2909  -18.2005
            17  O2a O    27.9309  -23.1006
            18  C1b C    29.1210  -22.4006
            19  C1b C    30.3810  -23.1006
            20  C8x C    24.2909  -16.8004
            21  C8x C    25.4809  -16.1004
            22  C8x C    26.7409  -16.8004
            23  C8x C    26.7409  -18.2005
            24  C8x C    25.4809  -18.9005
            25  N2b N    31.5710  -22.4006
            26  C1a C    33.0411  -22.9606
            27  C1a C    31.5710  -21.0005
            28  C1a C    20.6508  -18.9005
            29  O3a O    31.5710  -23.8006
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    9  14 2
            16   14  15 1
            17   14  16 1
            18    2  17 1
            19   17  18 1
            20   18  19 1
            21   16  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   16  24 1
            27   19  25 1
            28   25  26 1
            29   25  27 1
            30   15  28 1
            31   25  29 2

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