KEGG   DRUG: EtomidolineHelp
Entry
D01359                      Drug                                   

Name
Etomidoline (JAN/INN);
Smedolin (TN)
Formula
C23H29N3O2
Exact mass
379.226
Mol weight
379.4953
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Activity
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
Salivary secretion
Gastric acid secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Etomidoline
      D01359  Etomidoline (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
21590-92-1
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8x C    30.2592  -14.9592
            2   C8x C    31.6577  -14.9592
            3   C8y C    32.3569  -13.7481
            4   C8x C    31.6577  -12.5372
            5   C8x C    30.2592  -12.5372
            6   C8y C    29.5600  -13.7481
            7   O2a O    33.7553  -13.7481
            8   C1b C    34.4545  -14.9592
            9   C1b C    35.8529  -14.9592
            10  N1y N    36.5521  -16.1703
            11  C1x C    35.8480  -17.3742
            12  C1x C    36.5472  -18.5852
            13  C1x C    37.9456  -18.5852
            14  C1x C    38.6448  -17.3742
            15  C1x C    37.9456  -16.1631
            16  C8x C    23.9568  -15.4811
            17  C8x C    25.1783  -14.7937
            18  C8x C    25.1474  -17.5968
            19  C8x C    23.9412  -16.8825
            20  C8y C    26.3688  -16.9093
            21  C8y C    26.3794  -15.5000
            22  C1y C    27.7231  -15.0749
            23  N1y N    28.5425  -16.2213
            24  C5x C    27.7056  -17.3549
            25  C1b C    29.9409  -16.2321
            26  C1a C    30.6308  -17.4485
            27  O5x O    28.1277  -18.6882
            28  N1b N    28.1655  -13.7485
BOND        31
            1    12  13 1
            2    13  14 1
            3    14  15 1
            4    15  10 1
            5     1   2 2
            6     7   8 1
            7     2   3 1
            8     8   9 1
            9     3   4 2
            10    9  10 1
            11    4   5 1
            12    5   6 2
            13    6   1 1
            14   20  21 2
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  20 1
            19   16  17 2
            20   17  21 1
            21   20  18 1
            22   18  19 2
            23   19  16 1
            24   23  25 1
            25    3   7 1
            26   25  26 1
            27   10  11 1
            28   24  27 2
            29   11  12 1
            30   22  28 1
            31   28   6 1

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