KEGG   COMPOUND: C16608
Entry
C16608                      Compound                               

Name
Demethylcitalopram
Formula
C19H19FN2O
Exact mass
310.1481
Mol weight
310.3654
Structure
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.4.3.4         1.14.14.1       1.14.14.-
Other DBs
CAS: 62498-67-3
PubChem: 51090934
ChEBI: 80603
ChEMBL: CHEMBL1649
NIKKAJI: J307.060C
LinkDB
KCF data

ATOM        23
            1   C1z C    25.2631  -19.0308
            2   C8y C    23.9255  -18.5924
            3   O2x O    26.0985  -17.8974
            4   C8y C    23.9312  -17.1847
            5   C8x C    22.7220  -19.2935
            6   C1x C    25.2748  -16.7523
            7   C8x C    22.7220  -16.4837
            8   C8x C    21.5011  -18.5867
            9   C8y C    21.5011  -17.1847
            10  C3b C    20.2860  -16.4837
            11  N3a N    19.0713  -15.7825
            12  C8y C    25.2631  -20.4335
            13  C8x C    24.0499  -21.1339
            14  C8x C    24.0499  -22.5366
            15  C8y C    25.2647  -23.2380
            16  C8x C    26.4779  -22.5376
            17  C8x C    26.4779  -21.1349
            18  X   F    25.2644  -24.6141
            19  C1b C    26.6658  -19.0308
            20  C1b C    27.3518  -20.2188
            21  C1b C    28.7557  -20.2188
            22  N1b N    29.4472  -21.4161
            23  C1a C    30.8597  -21.4161
BOND        25
            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
            25   22  23 1

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