KEGG   DRUG: PentobarbitalHelp
Entry
D00499                      Drug                                   

Name
Pentobarbital (USP/INN);
Nembutal (TN)
Formula
C11H18N2O3
Exact mass
226.1317
Mol weight
226.2722
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
Remark
Same as: C07422
ATC code: N05CA01
Chemical structure group: DG00915
Product (DG00915): D00500<US> D02253<JP>
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
     N05CA01 Pentobarbital
      D00499  Pentobarbital (USP/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00499  Pentobarbital (USP/INN)
BRITE hierarchy
Other DBs
CAS: 76-74-4
PubChem: 7847565
ChEBI: 7983
ChEMBL: CHEMBL448
DrugBank: DB00312
LigandBox: D00499
NIKKAJI: J4.552G
KCF data Show

ATOM        16
            1   C1z C    24.3484  -19.3667
            2   C5x C    23.1527  -18.6842
            3   C5x C    24.3484  -20.7840
            4   C1c C    25.7366  -19.3608
            5   C1b C    24.3367  -17.9610
            6   N1x N    21.9277  -19.3667
            7   O5x O    23.1527  -17.2902
            8   N1x N    23.1527  -21.4840
            9   O5x O    25.5616  -21.4840
            10  C1b C    26.4307  -18.1476
            11  C1a C    26.4424  -20.5741
            12  C1a C    25.5442  -17.2435
            13  C5x C    21.9277  -20.7840
            14  C1b C    27.8247  -18.1476
            15  O5x O    20.7086  -21.4840
            16  C1a C    28.5246  -16.9402
BOND        16
            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    4  11 1
            11    5  12 1
            12    6  13 1
            13   10  14 1
            14   13  15 2
            15   14  16 1
            16    8  13 1

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