KEGG   DRUG: BarbexacloneHelp
Entry
D07298            Mixture   Drug                                   

Name
Barbexaclone (INN);
Maliasin (TN)
Formula
C12H12N2O3. C10H21N
Exact mass
387.2522
Mol weight
387.5157
Structure
Mol fileKCF fileDB search
Component
Phenobarbital [DR:D00506],  Levopropylhexedrine
Class
Neuropsychiatric agent
 DG01904  Barbiturate antiepileptics
Remark
ATC code: N03AA04
Efficacy
Antiepileptic
Comment
Barbiturate derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AA Barbiturates and derivatives
     N03AA04 Barbexaclone
      D07298  Barbexaclone (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D07298  Barbexaclone (INN)
BRITE hierarchy
Other DBs
CAS: 4388-82-3
PubChem: 51091635
LigandBox: D07298
NIKKAJI: J220.259J
KCF data Show

ATOM        28
            1   N1x N    19.0113  -18.7352
            2   C5x C    19.0113  -20.1329
            3   N1x N    20.2216  -20.8317
            4   C5x C    21.4321  -20.1329
            5   C1z C    21.4321  -18.7352
            6   C5x C    20.2216  -18.0364
            7   O5x O    20.2216  -16.6390
            8   O5x O    17.8010  -20.8317
            9   O5x O    22.6610  -20.8426
            10  C8y C    22.6610  -18.0255
            11  C8x C    23.8642  -18.7200
            12  C8x C    25.0744  -18.0211
            13  C8x C    25.0743  -16.6235
            14  C8x C    23.8713  -15.9289
            15  C8x C    22.6609  -16.6278
            16  C1b C    22.6611  -19.4449
            17  C1a C    24.0588  -19.4449
            18  C1x C    28.7946  -18.7352
            19  C1x C    28.7946  -20.1329
            20  C1x C    30.0049  -20.8317
            21  C1x C    31.2153  -20.1329
            22  C1y C    31.2153  -18.7352
            23  C1x C    30.0049  -18.0364
            24  C1b C    32.4507  -18.0364
            25  C1c C    33.6611  -18.7352
            26  N1b N    34.8715  -18.0364
            27  C1a C    36.0818  -18.7352
            28  C1a C    33.6611  -20.1327
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     2   8 2
            9     4   9 2
            10    5  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    5  16 1
            18   16  17 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   18  23 1
            25   22  24 1
            26   24  25 1
            27   25  26 1 #Up
            28   26  27 1
            29   25  28 1

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