KEGG   DRUG: Heteronium bromideHelp
Entry
D04434                      Drug                                   

Name
Heteronium bromide (USAN/INN)
Formula
C18H22NO3S. Br
Exact mass
411.0504
Mol weight
412.3412
Structure
Mol fileKCF fileDB search
Efficacy
Anti-ulcerative, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D04434  Heteronium bromide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 7247-57-6
PubChem: 47206304
ChEMBL: CHEMBL2106335
LigandBox: D04434
KCF data Show

ATOM        24
            1   C1d C    25.2230  -28.2573
            2   C7a C    24.0900  -28.8946
            3   O7a O    22.8861  -28.2573
            4   O6a O    24.0900  -30.3109
            5   C1y C    21.6114  -28.9655
            6   C1x C    20.5327  -28.1865
            7   C1x C    21.2107  -30.3313
            8   N2y N    19.3754  -28.9778 #+
            9   C1x C    19.8492  -30.2917
            10  C8y C    26.4415  -28.9791
            11  S2x S    26.8806  -30.3071
            12  C8x C    28.2818  -30.3037
            13  C8x C    28.7114  -28.9699
            14  C8x C    27.5758  -28.1492
            15  C8y C    25.2230  -26.8410
            16  C8x C    26.4495  -26.1328
            17  C8x C    26.4495  -24.7165
            18  C8x C    25.2230  -24.0083
            19  C8x C    23.9965  -24.7165
            20  C8x C    23.9965  -26.1328
            21  O1a O    26.3079  -27.4075
            22  C1a C    18.1488  -28.2697
            23  C1a C    18.1488  -29.6859
            24  X   Br   18.7079  -31.4440 #-
BOND        25
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     5   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   10  14 2
            16    1  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   15  20 2
            23    1  21 1
            24    8  22 1
            25    8  23 1

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