KEGG   COMPOUND: C06830Help
Entry
C06830                      Compound                               

Name
Anisotropine methylbromide;
Methyloctatropine bromide
Formula
C17H32NO2. Br
Exact mass
361.1616
Mol weight
362.3455
Structure
Mol fileKCF fileDB search
Remark
Same as: D00232
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Anisotropine methylbromide
    D00232  Anisotropine methylbromide (USAN)
   Methyloctatropine
    D00232  Anisotropine methylbromide (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00232  Anisotropine methylbromide (USAN)
BRITE hierarchy
Other DBs
CAS: 80-50-2
PubChem: 9048
ChEBI: 2739
ChEMBL: CHEMBL1578
NIKKAJI: J243.983B
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    24.3155  -18.7955
            2   N2y N    23.2909  -18.2481 #+
            3   C1x C    25.7993  -18.7955
            4   C1x C    23.1674  -19.8201
            5   C1y C    24.1801  -19.8201
            6   C1y C    26.8121  -19.9260
            7   C1x C    23.1674  -21.1509
            8   C1x C    25.3990  -19.5198
            9   O7a O    27.4363  -21.0742
            10  C7a C    28.7492  -21.1029
            11  C1c C    29.4206  -19.9841
            12  O6a O    29.3735  -22.2510
            13  C1b C    30.7278  -19.9494
            14  C1b C    28.7964  -18.8417
            15  C1b C    31.4108  -18.8307
            16  C1b C    29.4794  -17.7230
            17  C1a C    32.7180  -18.8592
            18  C1a C    28.8495  -16.5747
            19  C1a C    22.2569  -17.2385
            20  C1a C    22.1630  -19.1164
            21  X   Br   23.7861  -15.8046 #-
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1 #Down
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18    5   7 1
            19    6   8 1
            20    2  19 1
            21    2  20 1

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