KEGG   COMPOUND: C07471
Entry
C07471                      Compound                               

Name
Methacholine;
Acetyl-beta-methylcholine
Formula
C8H18NO2
Exact mass
160.1338
Mol weight
160.234
Structure
Remark
Drug group: DG01290
Other DBs
CAS: 55-92-5
PubChem: 9674
ChEBI: 6804
ChEMBL: CHEMBL978
NIKKAJI: J11.055H
LinkDB
KCF data

ATOM        11
            1   C1b C    23.3974  -23.9226
            2   N1d N    22.2130  -23.2341 #+
            3   C1c C    24.5817  -23.2341
            4   C1a C    21.4778  -24.5703
            5   C1a C    21.5303  -21.8981
            6   C1a C    20.8477  -23.2341
            7   O7a O    25.7661  -23.9226
            8   C1a C    24.5817  -21.8398
            9   C7a C    26.9505  -23.2341
            10  C1a C    28.1349  -23.9226
            11  O6a O    26.9505  -21.8689
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     7   9 1
            9     9  10 1
            10    9  11 2

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