KEGG   COMPOUND: C12564Help
Entry
C12564                      Compound                               

Name
Aripiprazole
Formula
C23H27Cl2N3O2
Exact mass
447.148
Mol weight
448.3854
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AX Other antipsychotics
     N05AX12 Aripiprazole
      D01164  Aripiprazole (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Antidepressants
  Antidepressants, Other
   Aripiprazole
    D01164  Aripiprazole (JAN/USAN/INN)
 Antipsychotics
  2nd Generation/Atypical
   Aripiprazole
    D01164  Aripiprazole (JAN/USAN/INN)
 Bipolar Agents
  Bipolar Agents, Other
   Aripiprazole
    D01164  Aripiprazole (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D01164  Aripiprazole (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor
     Aripiprazole
      D01164  Aripiprazole (JAN/USAN/INN)
   Serotonin
    5-HT1A-receptor
     Aripiprazole
      D01164  Aripiprazole (JAN/USAN/INN)
    5-HT2A-receptor
     Aripiprazole
      D01164  Aripiprazole (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP2D6
   Aripiprazole
    D01164  Aripiprazole (JAN/USAN/INN)
  CYP3A4
   Aripiprazole
    D01164  Aripiprazole (JAN/USAN/INN)
Psychiatric agents [br08363.html]
 Antipsychotics
  D01164
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01164
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D01164
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D01164
BRITE hierarchy
Other DBs
CAS: 
129722-12-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8y C    21.1093  -20.1077
            2   C8x C    21.1093  -18.7072
            3   C8x C    19.8936  -18.0069
            4   C8x C    19.8936  -20.8080
            5   C8y C    18.6849  -20.1077
            6   C8y C    18.6910  -18.7072
            7   C1x C    16.2652  -18.6969
            8   C5x C    16.2592  -20.0974
            9   N1x N    17.4691  -20.8027
            10  O5x O    15.0434  -20.7924
            11  O2a O    22.3219  -20.8085
            12  C1b C    23.5352  -20.1089
            13  C1b C    24.7476  -20.8099
            14  C1b C    25.9609  -20.1101
            15  C1b C    27.1735  -20.8110
            16  N1y N    28.3868  -20.1115
            17  C1x C    29.5955  -20.8116
            18  C1x C    30.8088  -20.1120
            19  N1y N    30.8094  -18.7115
            20  C1x C    29.5970  -18.0105
            21  C1x C    28.4537  -18.7103
            22  C8y C    32.0227  -18.0119
            23  C8y C    33.2328  -18.7123
            24  C8y C    34.4460  -18.0127
            25  C8x C    34.4467  -16.6123
            26  C8x C    33.2341  -15.9114
            27  C8x C    32.0208  -16.6111
            28  X   Cl   33.2316  -20.1128
            29  X   Cl   35.6585  -18.7137
            30  C1x C    17.4783  -18.0066
BOND        33
            1     5   4 2
            2    14  15 1
            3     5   6 1
            4    15  16 1
            5    30   7 1
            6     7   8 1
            7     8   9 1
            8     9   5 1
            9     4   1 1
            10   16  17 1
            11   17  18 1
            12   18  19 1
            13   19  20 1
            14   20  21 1
            15   21  16 1
            16    8  10 2
            17   19  22 1
            18    1  11 1
            19    1   2 2
            20   11  12 1
            21    2   3 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  22 1
            28   12  13 1
            29   23  28 1
            30    3   6 2
            31   24  29 1
            32   13  14 1
            33    6  30 1

» Japanese version

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