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
 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)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D08098  Ketamine (INN)
Other DBs
CAS: 6740-88-1
PubChem: 96024788
ChEBI: 6121
ChEMBL: CHEMBL742
DrugBank: DB01221
LigandBox: D08098
NIKKAJI: J244.885H
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 (JP17/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
 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 (JP17/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 (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D00711  Ketamine hydrochloride (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00711  Ketamine hydrochloride
Other DBs
CAS: 1867-66-9
PubChem: 7847776
ChEBI: 650657
ChEMBL: CHEMBL1714
DrugBank: DB01221
LigandBox: D00711
NIKKAJI: J330.890A
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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