KEGG   DRUG: Etomidate
Entry
D00548                      Drug                                   

Name
Etomidate (USP/INN);
Amidate (TN)
Product
  Generic
Formula
C14H16N2O2
Exact mass
244.1212
Mol weight
244.289
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG02027  General anesthetics
 DG02027  General anesthetics
Remark
Same as: C07522
ATC code: N01AX07
Product: D00548<US>
Efficacy
Sedative-hypnotic
Target
GABRA1 [HSA:2554] [KO:K05175]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX07 Etomidate
      D00548  Etomidate (USP/INN) <US>
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABRA1
     D00548  Etomidate (USP/INN) <US>
Other DBs
CAS: 33125-97-2
PubChem: 7847614
ChEBI: 4910
ChEMBL: CHEMBL681
DrugBank: DB00292
PDB-CCD: V8D[PDBj]
LigandBox: D00548
NIKKAJI: J17.549H J335.015K
LinkDB
KCF data

ATOM        18
            1   N4y N    18.6294  -16.3821
            2   C8y C    19.9715  -15.9761
            3   C1c C    17.3983  -15.6728
            4   C8x C    18.6071  -17.7926
            5   C8x C    20.7629  -17.1255
            6   C8y C    16.1847  -16.3821
            7   C1a C    17.3983  -14.2714
            8   N5x N    19.9334  -18.2459
            9   C8x C    14.9711  -15.6728
            10  C8x C    16.1847  -17.7775
            11  C8x C    13.8216  -16.3821
            12  C8x C    14.9711  -18.4809
            13  C8x C    13.7575  -17.7892
            14  C7a C    19.9715  -14.5732
            15  O7a O    21.1620  -13.8860
            16  O6a O    18.7483  -13.8667
            17  C1b C    22.3637  -14.5800
            18  C1a C    23.5518  -13.8941
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 2
            8     6   9 2
            9     6  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 2
            13    5   8 1
            14   12  13 1
            15    2  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   17  18 1

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