KEGG   DRUG: Pentobarbital sodiumHelp
Entry
D00500                      Drug                                   

Name
Pentobarbital sodium (JAN/USP);
Nembutal sodium (TN)
Product
  Generic
Formula
C11H17N2O3. Na
Exact mass
248.1137
Mol weight
248.254
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
Remark
Same as: C07423
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
      D00500  Pentobarbital sodium (JAN/USP) <US>
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00500  Pentobarbital sodium (JAN/USP) <US>
Drug classes of therapeutic agents [br08360.html]
 Psychiatric agents
  D00500
BRITE hierarchy
Other DBs
CAS: 57-33-0
PubChem: 7847566
ChEBI: 7984
ChEMBL: CHEMBL971
DrugBank: DB00312
LigandBox: D00500
NIKKAJI: J378.224G
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1z C    25.3223  -19.3084
            2   C5x C    25.3223  -20.7244
            3   C5x C    24.1279  -18.6267
            4   C1c C    26.7150  -19.3026
            5   C1b C    25.3107  -17.8983
            6   N1x N    24.1279  -21.4234
            7   O5x O    26.5401  -21.4234
            8   N2x N    22.9043  -19.3084
            9   O5x O    24.1279  -17.2283
            10  C1b C    27.4026  -18.0906
            11  C1a C    27.4141  -20.5145
            12  C1a C    26.5227  -17.1874
            13  C2y C    22.9043  -20.7244
            14  C1b C    28.7951  -18.0906
            15  O1a O    21.6865  -21.4234 #-
            16  C1a C    29.4943  -16.8787
            17  Z   Na   19.6762  -21.4876 #+
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 1
            15   14  16 1
            16    8  13 2

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