KEGG   DRUG: Citicoline
Entry
D00057                      Drug                                   
Name
Citicoline (JP18/INN);
Nicholin (TN)
Formula
C14H26N4O11P2
Exact mass
488.1073
Mol weight
488.32
Structure
Simcomp
Remark
Same as: C00307
Therapeutic category: 1190 2399
ATC code: N06BX06
Chemical structure group: DG00978
Product (DG00978): D00057<JP>
Efficacy
Nootropic
Comment
Post-stroke and post-head trauma treatment
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BX Other psychostimulants and nootropics
     N06BX06 Citicoline
      D00057  Citicoline (JP18/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D00057  Citicoline (JP18/INN)
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D00057  Citicoline (JP18/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00057  Citicoline
Other DBs
CAS: 987-78-0
PubChem: 7847125
ChEBI: 16436
PDB-CCD: CDC[PDBj]
LigandBox: D00057
NIKKAJI: J55.713G
LinkDB
KCF data

ATOM        31
            1   C1y C    23.0300  -19.3900
            2   C1y C    24.4300  -19.3900
            3   C1y C    24.8500  -18.1300
            4   O2x O    23.7300  -17.2900
            5   C1y C    22.6100  -18.1300
            6   C1b C    21.4200  -17.4300
            7   O2b O    20.2300  -18.1300
            8   O1a O    22.2600  -20.5100
            9   O1a O    25.2000  -20.5100
            10  P1b P    18.9000  -18.1300
            11  O2c O    17.5000  -18.1300
            12  P1b P    16.1700  -18.1300
            13  O2b O    14.7700  -18.1300
            14  O1c O    18.9000  -16.7300
            15  O1c O    18.9000  -19.4600
            16  O1c O    16.1700  -16.7300
            17  O1c O    16.1700  -19.4600 #-
            18  C1b C    13.5800  -17.4300
            19  C1b C    12.3900  -18.1300
            20  N1d N    11.2700  -17.4300 #+
            21  C1a C    10.0800  -16.7300
            22  C1a C    10.5700  -18.6200
            23  C1a C    11.9700  -16.2400
            24  N4y N    26.1100  -17.4300
            25  C8x C    26.1100  -16.1000
            26  C8x C    27.3000  -15.4000
            27  C8y C    28.4900  -16.1000
            28  N5x N    28.4900  -17.4300
            29  C8y C    27.3000  -18.1300
            30  O5x O    27.3000  -19.6000
            31  N1a N    29.7500  -15.4000
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Up
            7     6   7 1
            8     1   8 1 #Down
            9     2   9 1 #Down
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   10  14 2
            15   10  15 1
            16   12  16 2
            17   12  17 1
            18   13  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   20  22 1
            23   20  23 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   24  29 1
            30   29  30 2
            31   27  31 1
            32    3  24 1 #Up

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