KEGG   COMPOUND: C08201Help
Entry
C08201                      Compound                               

Name
Acetylcholine chloride
Formula
C7H16NO2. Cl
Exact mass
181.087
Mol weight
181.6604
Structure
Mol fileKCF fileDB search
Remark
Same as: D00999
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB09 Acetylcholine
      D00999  Acetylcholine chloride (JP17/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   123  Autonomic nervous system agents
    1232  Acetylcholines
     D00999  Acetylcholine chloride (JP17/USP/INN)
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   722  Various function testing reagents
    7222  Diagnostic reagents for circulatory function
     D00999  Acetylcholine chloride (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00999  Acetylcholine chloride (JP17/USP/INN) <JP/US>
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN
     D00999  Acetylcholine chloride (JP17/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00999  Acetylcholine chloride for injection
BRITE hierarchy
Other DBs
CAS: 60-31-1
PubChem: 10400
ChEBI: 2417
ChEMBL: CHEMBL1184
NIKKAJI: J231.275A
KCF data Show

ATOM        11
            1   N1d N    17.4483  -17.4183 #+
            2   C1b C    18.5738  -18.0657
            3   C1a C    16.6728  -15.9663
            4   C1a C    15.9437  -17.4126
            5   C1a C    16.6728  -18.8646
            6   C1b C    19.7051  -17.4183
            7   O7a O    20.8363  -18.0657
            8   C7a C    21.9677  -17.4183
            9   C1a C    23.0874  -18.0657
            10  O6a O    21.9677  -16.1121
            11  X   Cl   26.5628  -17.6982 #-
BOND        9
            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

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