Methacholine chloride


Entry
D04970                      Drug                                   
Name
Methacholine chloride (JAN/USP/INN);
Provocholine (TN)
Product
METHACHOLINE CHLORIDE (Methapharm)
Formula
C8H18NO2. Cl
Exact mass
195.1026
Mol weight
195.687
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01490  Muscarinic cholinergic receptor agonist
Remark
Therapeutic category: 7290
ATC code: V04CX03
Chemical structure group: DG01290
Product (DG01290): D04970<JP/US>
Efficacy
Bronchoconstrictor, Diagnostic, Muscarinic acetylcholine receptor agonist
Comment
Diagnosis of bronchial airway hyperreactivity
Target
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion
hsa04972  Pancreatic secretion
Interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CX Other diagnostic agents
     V04CX03 Methacholine
      D04970  Methacholine chloride (JAN/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   729  Miscellaneous
    7290  Miscellaneous
     D04970  Methacholine chloride (JAN/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01490  Muscarinic cholinergic receptor agonist
   DG01290  Methacholine
    D04970  Methacholine chloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D04970  Methacholine chloride (JAN/USP/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04970
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01490  Muscarinic cholinergic receptor agonist
   DG01290  Methacholine
Other DBs
CAS: 62-51-1
PubChem: 47206703
ChEBI: 50142
LigandBox: D04970
NIKKAJI: J98.376D
KCF data

ATOM        12
            1   N1d N    20.0900  -17.0100 #+
            2   C1b C    21.2100  -17.6400
            3   C1a C    19.3200  -15.5400
            4   C1a C    18.6200  -17.0100
            5   C1a C    19.3200  -18.4100
            6   C1c C    22.3300  -17.0100
            7   O7a O    23.5200  -17.6400
            8   C7a C    24.6400  -17.0100
            9   C1a C    25.7600  -17.6400
            10  O6a O    24.6400  -15.6800
            11  C1a C    22.3122  -15.6101
            12  X   Cl   29.1900  -17.2900 #-
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10    6  11 1