Elucaine


Entry
D03979                      Drug                                   
Name
Elucaine (USAN)
Formula
C19H23NO2
Exact mass
297.1729
Mol weight
297.3914
Structure
Simcomp
Efficacy
Anti-ulcerative, Muscarinic acetylcholine receptor antagonist
Target
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04971  Gastric acid secretion
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D03979  Elucaine (USAN)
Other DBs
CAS: 25314-87-8
PubChem: 47205963
LigandBox: D03979
NIKKAJI: J20.316E
KCF data

ATOM        22
            1   C1a C    19.7289  -18.6818
            2   C1b C    20.9400  -17.9826
            3   N1c N    22.1512  -18.6818
            4   C1b C    23.3623  -17.9826
            5   C1c C    24.5734  -18.6818
            6   O7a O    25.7847  -17.9826
            7   C7a C    26.9958  -18.6818
            8   C8y C    28.2069  -17.9826
            9   C8x C    29.4181  -18.6818
            10  C8x C    30.6292  -17.9826
            11  C8x C    30.6292  -16.5839
            12  C8x C    29.4181  -15.8847
            13  C8x C    28.2069  -16.5839
            14  O6a O    26.9958  -20.0803
            15  C8y C    24.5734  -20.0802
            16  C8x C    23.3475  -20.7881
            17  C8x C    23.3476  -22.1866
            18  C8x C    24.5589  -22.8858
            19  C8x C    25.7849  -22.1779
            20  C8x C    25.7847  -20.7794
            21  C1b C    22.1512  -20.0801
            22  C1a C    20.9400  -20.7794
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    8  13 1
            14    7  14 2
            15    5  15 1
            16   15  16 2
            17   17  18 2
            18   18  19 1
            19   19  20 2
            20   15  20 1
            21   16  17 1
            22    3  21 1
            23   21  22 1