KEGG   DRUG: ButobarbitalHelp
Entry
D02618                      Drug                                   

Name
Butobarbital (BAN);
Butethal;
Neonal (TN)
Formula
C10H16N2O3
Exact mass
212.1161
Mol weight
212.2456
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
Remark
ATC code: N05CA03
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Structure map
map07032  Hypnotics
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA03 Butobarbital
      D02618  Butobarbital (BAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D02618  Butobarbital (BAN)
BRITE hierarchy
Other DBs
CAS: 77-28-1
PubChem: 17396788
ChEMBL: CHEMBL404422
DrugBank: DB01353
LigandBox: D02618
NIKKAJI: J4.556J
LinkDB All DBs
KCF data Show

ATOM        15
            1   C1z C    21.8984  -16.3567
            2   C5x C    20.7027  -15.6742
            3   C5x C    21.8984  -17.7740
            4   C1b C    23.2866  -16.3508
            5   C1b C    21.8867  -14.9510
            6   N1x N    19.4777  -16.3567
            7   O5x O    20.7027  -14.2802
            8   N1x N    20.7027  -18.4740
            9   O5x O    23.1116  -18.4740
            10  C1b C    23.9807  -15.1376
            11  C1a C    23.0942  -14.2335
            12  C5x C    19.4777  -17.7740
            13  C1b C    25.3747  -15.1376
            14  O5x O    18.2586  -18.4740
            15  C1a C    26.0746  -13.9302
BOND        15
            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   10  13 1
            13   12  14 2
            14   13  15 1
            15    8  12 1

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