KEGG   DRUG: MethohexitalHelp
Entry
D04985                      Drug                                   

Name
Methohexital (USP/INN)
Formula
C14H18N2O3
Exact mass
262.1317
Mol weight
262.3043
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG02030  Anesthetics
  DG02027  General anesthetics
   DG02025  Barbiturate anesthetics
 DG02027  General anesthetics
  DG02025  Barbiturate anesthetics
 DG02025  Barbiturate anesthetics
Remark
Same as: C07844
ATC code: N01AF01 N05CA15
Chemical structure group: DG00789
Product (DG00789): D00712<US>
Efficacy
Anesthetic, Sedative-hypnotic
Comment
Barbituric acid derivative
Target
GABRA1 [HSA:2554] [KO:K05175]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AF Barbiturates, plain
     N01AF01 Methohexital
      D04985  Methohexital (USP/INN)
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA15 Methohexital
      D04985  Methohexital (USP/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABRA1
     D04985  Methohexital (USP/INN)
BRITE hierarchy
Other DBs
CAS: 151-83-7
PubChem: 47206715
ChEBI: 102216
ChEMBL: CHEMBL7413
DrugBank: DB00474
LigandBox: D04985
NIKKAJI: J10.986J
LinkDB All DBs
KCF data Show

ATOM        19
            1   C1z C    21.1374  -16.1390
            2   C5x C    21.1374  -17.5446
            3   C5x C    19.9241  -15.4389
            4   C1c C    22.5257  -16.1390
            5   C1b C    21.1316  -14.7449
            6   N1y N    19.9241  -18.2447
            7   O5x O    22.3449  -18.2447
            8   N1x N    18.7050  -16.1390
            9   O5x O    19.9825  -14.0332
            10  C3b C    23.2257  -14.9315
            11  C1a C    23.5233  -17.1306
            12  C2b C    22.3449  -14.0390
            13  C5x C    18.7050  -17.5446
            14  C1a C    19.9825  -19.6446
            15  C2a C    22.3449  -12.6449
            16  O5x O    17.4859  -18.2330
            17  C3b C    23.8204  -13.6360
            18  C1b C    24.2793  -12.3346
            19  C1a C    25.6685  -12.0754
BOND        19
            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    6  14 1
            14   12  15 2
            15   13  16 2
            16    8  13 1
            17   10  17 3
            18   17  18 1
            19   18  19 1

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