KEGG   DRUG: ThiamylalHelp
Entry
D06106                      Drug                                   

Name
Thiamylal
Formula
C12H18N2O2S
Exact mass
254.1089
Mol weight
254.3485
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
 DG02030  Anesthetics
  DG02027  General anesthetics
   DG02025  Barbiturate anesthetics
 DG02027  General anesthetics
  DG02025  Barbiturate anesthetics
 DG02025  Barbiturate anesthetics
Remark
Same as: C07846
Chemical structure group: DG01377
Product (DG01377): D00713<JP>
Efficacy
Anesthetic (intravenous)
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Structure map
map07230  GABA-A receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D06106  Thiamylal
BRITE hierarchy
Other DBs
CAS: 77-27-0
PubChem: 47207764
ChEBI: 9536
ChEMBL: CHEMBL440
DrugBank: DB01154
LigandBox: D06106
NIKKAJI: J38.391K
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1z C    24.6981  -18.6027
            2   C5x C    24.6981  -20.0096
            3   C5x C    23.4897  -17.9080
            4   C1c C    26.0933  -18.6027
            5   C1b C    24.6922  -17.2074
            6   N1x N    23.4897  -20.7159
            7   O5x O    25.9006  -20.7159
            8   N1x N    22.2696  -18.6027
            9   O5x O    23.5421  -16.5011
            10  C1b C    26.7822  -17.3943
            11  C2b C    25.9006  -16.5128
            12  C2y C    22.2696  -20.0096
            13  C1b C    28.1775  -17.3943
            14  C2a C    25.9006  -15.1117
            15  S0  S    21.0494  -20.7102
            16  C1a C    28.8722  -16.1799
            17  C1a C    26.8083  -19.8334
BOND        17
            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   11  14 2
            14   12  15 2
            15   13  16 1
            16    8  12 1
            17    4  17 1

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