KEGG   DRUG: Ketamine
Entry
D08098                      Drug                                   
Name
Ketamine (INN);
Tekam (TN)
Formula
C13H16ClNO
Exact mass
237.092
Mol weight
237.7252
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG02027  General anesthetics
 DG01498  NMDA receptor antagonist
Remark
Same as: C07525
ATC code: N01AX03
Chemical structure group: DG00796
Product (DG00796): D00711<JP/US>
Efficacy
Anesthetic (intravenous), NMDA receptor antagonist
Comment
Phencyclidine derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
Interaction
Structure map
map07235  N-Methyl-D-aspartic acid (NMDA) receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX03 Ketamine
      D08098  Ketamine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG02027  General anesthetics
    DG00796  Ketamine
     D08098  Ketamine
  DG01498  NMDA receptor antagonist
   DG00796  Ketamine
    D08098  Ketamine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D08098  Ketamine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG02027  General anesthetics
    DG00796  Ketamine
  DG01498  NMDA receptor antagonist
   DG00796  Ketamine
Other DBs
CAS: 6740-88-1
PubChem: 96024788
ChEBI: 6121
LigandBox: D08098
NIKKAJI: J244.885H
LinkDB
KCF data

ATOM        16
            1   C1z C    24.9200  -17.7800
            2   C8y C    23.7300  -18.4800
            3   C5x C    26.3200  -17.7800
            4   C1x C    24.2200  -16.5900
            5   N1b N    25.6200  -18.9700
            6   C8y C    22.4700  -17.7800
            7   C8x C    23.7300  -19.8800
            8   C1x C    27.0200  -16.5200
            9   O5x O    27.0200  -18.9700
            10  C1x C    24.9200  -15.3300
            11  C1a C    24.9200  -20.2300
            12  C8x C    21.2800  -18.4800
            13  X   Cl   22.4700  -16.3800
            14  C8x C    22.4700  -20.5800
            15  C1x C    26.3200  -15.3300
            16  C8x C    21.2800  -19.8800
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   12  16 2
            16   10  15 1
            17   14  16 1

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KEGG   DRUG: Ketamine hydrochloride
Entry
D00711                      Drug                                   
Name
Ketamine hydrochloride (JP18/USP);
Ketalar (TN)
Product
  Generic
Formula
C13H16ClNO. HCl
Exact mass
273.0687
Mol weight
274.1862
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG02027  General anesthetics
 DG01498  NMDA receptor antagonist
Remark
Same as: C07843
Therapeutic category: 1119
ATC code: N01AX03
Chemical structure group: DG00796
Product (DG00796): D00711<JP/US>
Efficacy
Anesthetic (intravenous), NMDA receptor antagonist
Comment
Phencyclidine derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
Interaction
Structure map
map07235  N-Methyl-D-aspartic acid (NMDA) receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX03 Ketamine
      D00711  Ketamine hydrochloride (JP18/USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   111  General anesthetics
    1119  Others
     D00711  Ketamine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG02027  General anesthetics
    DG00796  Ketamine
     D00711  Ketamine hydrochloride
  DG01498  NMDA receptor antagonist
   DG00796  Ketamine
    D00711  Ketamine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D00711  Ketamine hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00711  Ketamine hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG02027  General anesthetics
    DG00796  Ketamine
  DG01498  NMDA receptor antagonist
   DG00796  Ketamine
Other DBs
CAS: 1867-66-9
PubChem: 7847776
ChEBI: 650657
LigandBox: D00711
NIKKAJI: J330.890A
LinkDB
KCF data

ATOM        17
            1   C1z C    25.6660  -16.9811
            2   C8y C    24.4548  -17.6859
            3   C5x C    27.0636  -17.0395
            4   C1x C    24.9498  -15.7756
            5   N1b N    26.3588  -18.1925
            6   C8y C    23.2376  -16.9870
            7   C8x C    24.4548  -19.0836
            8   C1x C    27.7508  -15.7523
            9   O5x O    27.7741  -18.1809
            10  C1x C    25.6427  -14.5585
            11  C1a C    25.6660  -19.4038
            12  C8x C    22.0262  -17.6859
            13  X   Cl   23.2493  -15.5893
            14  C8x C    23.2434  -19.7882
            15  C1x C    27.0403  -14.5411
            16  C8x C    22.0262  -19.0836
            17  X   Cl   30.1792  -16.9112
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   12  16 2
            16   10  15 1
            17   14  16 1

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