KEGG   COMPOUND: C07572Help
Entry
C07572                      Compound                               

Name
Citalopram
Formula
C20H21FN2O
Exact mass
324.1638
Mol weight
324.3919
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Drug metabolism - cytochrome P450
Enzyme
1.4.3.4         1.14.13.-       1.14.14.1
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AB Selective serotonin reuptake inhibitors
     N06AB04 Citalopram
      D07704  Citalopram (USP/INN)
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Citalopram
    D07704  Citalopram (USP/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (serotonin transporter)
     Citalopram
      D07704  Citalopram (USP/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP2D6
   Citalopram
    D07704  Citalopram (USP/INN)
  CYP3A4
   Citalopram
    D07704  Citalopram (USP/INN)
 Transporter substrates
  ABCB1
   Citalopram
    D07704  Citalopram (USP/INN)
BRITE hierarchy
Other DBs
CAS: 
59729-33-8
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1z C    25.2632  -17.7709
            2   C8y C    23.9256  -17.3325
            3   O2x O    26.0986  -16.6375
            4   C8y C    23.9313  -15.9248
            5   C8x C    22.7221  -18.0336
            6   C1x C    25.2749  -15.4924
            7   C8x C    22.7221  -15.2238
            8   C8x C    21.5012  -17.3268
            9   C8y C    21.5012  -15.9248
            10  C3b C    20.2861  -15.2238
            11  N3a N    19.0714  -14.5226
            12  C8y C    25.2632  -19.1736
            13  C8x C    24.0500  -19.8740
            14  C8x C    24.0500  -21.2767
            15  C8y C    25.2648  -21.9781
            16  C8x C    26.4780  -21.2777
            17  C8x C    26.4780  -19.8750
            18  X   F    25.2645  -23.3542
            19  C1b C    26.6659  -17.7709
            20  C1b C    27.3519  -18.9589
            21  C1b C    28.7558  -18.9589
            22  N1c N    29.4473  -20.1562
            23  C1a C    30.8598  -20.1562
            24  C1a C    28.7606  -21.3455
BOND        26
            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
            26   22  24 1

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