KEGG   COMPOUND: C07849Help
Entry
C07849                      Compound                               

Name
Methantheline
Formula
C21H26NO3
Exact mass
340.1913
Mol weight
340.436
Structure
Mol fileKCF fileDB search
Remark
ATC code: A03AB07
Drug group: DG00036
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AB Synthetic anticholinergics, quaternary ammonium compounds
     A03AB07 Methantheline
      C07849  Methantheline
BRITE hierarchy
Other DBs
CAS: 5818-17-7
PubChem: 10051
ChEBI: 6817
ChEMBL: CHEMBL1201264
NIKKAJI: J8.071C
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    26.6700  -18.2000
            2   C8x C    26.6700  -19.6000
            3   C8x C    27.9300  -20.3000
            4   C8y C    29.1200  -19.6000
            5   C8y C    29.1200  -18.2000
            6   C8x C    27.9300  -17.5000
            7   O2x O    30.3800  -20.3000
            8   C8y C    31.5700  -19.6000
            9   C8y C    31.5700  -18.2000
            10  C1y C    30.3800  -17.5000
            11  C8x C    32.7600  -20.3000
            12  C8x C    34.0200  -19.6000
            13  C8x C    34.0200  -18.2000
            14  C8x C    32.7600  -17.5000
            15  C7a C    30.3800  -16.1000
            16  O7a O    31.5700  -15.4000
            17  O6a O    29.1200  -15.4000
            18  C1b C    32.7600  -16.0300
            19  C1b C    33.9500  -15.4000
            20  N1d N    35.1400  -16.1000 #+
            21  C1b C    36.3300  -15.4000
            22  C1a C    35.1400  -17.5000
            23  C1a C    37.5200  -16.1000
            24  C1b C    35.1400  -14.6300
            25  C1a C    36.3300  -14.0000
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   15  17 2
            20   16  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 1
            25   21  23 1
            26   20  24 1
            27   24  25 1

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