KEGG   DRUG: MetharbitalHelp
Entry
D01382                      Drug                                   

Name
Metharbital (JAN/INN);
Gemonil (TN)
Formula
C9H14N2O3
Exact mass
198.1004
Mol weight
198.2191
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01904  Barbiturate antiepileptics
Other
 DG01575  Calcium channel blocker
Remark
ATC code: 
Activity
Anticonvulsant
Comment
Barbiturate derivative
Target
calcium channel
Interaction
Drug interaction
Structure map
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)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel
     Metharbital
      D01382  Metharbital (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
50-11-3
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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