KEGG   COMPOUND: C16609
Entry
C16609                      Compound                               

Name
Didemethylcitalopram
Formula
C18H17FN2O
Exact mass
296.1325
Mol weight
296.3388
Structure
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.4.3.4         1.14.14.1
Other DBs
CAS: 62498-69-5
PubChem: 51090935
ChEBI: 80604
ChEMBL: CHEMBL3544716
NIKKAJI: J324.094K
LinkDB
KCF data

ATOM        22
            1   C1z C    25.2437  -19.0162
            2   C8y C    23.9072  -18.5782
            3   O2x O    26.0785  -17.8837
            4   C8y C    23.9129  -17.1715
            5   C8x C    22.7046  -19.2787
            6   C1x C    25.2554  -16.7395
            7   C8x C    22.7046  -16.4711
            8   C8x C    21.4846  -18.5725
            9   C8y C    21.4846  -17.1715
            10  C3b C    20.2705  -16.4711
            11  N3a N    19.0567  -15.7704
            12  C8y C    25.2437  -20.4178
            13  C8x C    24.0315  -21.1177
            14  C8x C    24.0315  -22.5193
            15  C8y C    25.2453  -23.2202
            16  C8x C    26.4576  -22.5203
            17  C8x C    26.4576  -21.1187
            18  X   F    25.2450  -24.5952
            19  C1b C    26.6454  -19.0162
            20  C1b C    27.3308  -20.2033
            21  C1b C    28.7337  -20.2033
            22  N1a N    29.4246  -21.3997
BOND        24
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     7   9 2
            9     9  10 1
            10    4   6 1
            11    8   9 1
            12   10  11 3
            13    1  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1
            21    1  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1

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