KEGG   COMPOUND: C06850Help
Entry
C06850                      Compound                               

Name
Bethanechol
Formula
C7H17N2O2
Exact mass
161.129
Mol weight
161.2221
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07A PARASYMPATHOMIMETICS
    N07AB Choline esters
     N07AB02 Bethanechol
      C06850  Bethanechol
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Bethanechol
    C06850  Bethanechol
 Second-class OTC drugs
  Inorganic and organic chemicals
   Bethanechol chloride
    C06850  Bethanechol
BRITE hierarchy
Other DBs
CAS: 
674-38-4
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        11
            1   N1d N    21.7700  -17.0100 #+
            2   C1b C    22.8900  -17.6400
            3   C1a C    21.0000  -15.5400
            4   C1a C    20.3000  -17.0100
            5   C1a C    21.0000  -18.4100
            6   C1c C    24.0100  -17.0100
            7   O7a O    25.2000  -17.6400
            8   C7a C    26.3200  -17.0100
            9   N1a N    27.4400  -17.6400
            10  O6a O    26.3200  -15.6800
            11  C1a C    23.9922  -15.6101
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

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