KEGG   DRUG: Metharbital
Entry
D01382                      Drug                                   
Name
Metharbital (JAN/INN);
Gemonil (TN)
Formula
C9H14N2O3
Exact mass
198.1004
Mol weight
198.22
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG01904  Barbiturate antiepileptic
Remark
ATC code: N03AA30
Efficacy
Anticonvulsant
Comment
Barbiturate derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AA Barbiturates and derivatives
     N03AA30 Metharbital
      D01382  Metharbital (JAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG01904  Barbiturate antiepileptic
    D01382  Metharbital
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D01382  Metharbital (JAN/INN)
Other DBs
CAS: 50-11-3
PubChem: 7848445
ChEBI: 31827
PDB-CCD: VOK[PDBj]
LigandBox: D01382
NIKKAJI: J1.357I
LinkDB
KCF data

ATOM        14
            1   C1z C    26.4697  -18.3147
            2   C5x C    26.4697  -19.7202
            3   C5x C    25.2566  -17.6149
            4   C1b C    27.8577  -18.3147
            5   C1b C    26.4639  -16.9209
            6   N1y N    25.2566  -20.4201
            7   O5x O    27.6769  -20.4201
            8   N1x N    24.0377  -18.3147
            9   O5x O    25.2450  -16.2094
            10  C1a C    28.5576  -17.1075
            11  C1a C    27.6769  -16.2151
            12  C5x C    24.0377  -19.7202
            13  O5x O    22.8188  -20.4084
            14  C1a C    25.2580  -21.8155
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12   12  13 2
            13    8  12 1
            14    6  14 1

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