KEGG   DRUG: Moxaverine hydrochloride
Entry
D08238                      Drug                                   

Name
Moxaverine hydrochloride;
Certonal (TN)
Formula
C20H21NO2. HCl
Exact mass
343.1339
Mol weight
343.8472
Structure
Simcomp
Remark
ATC code: A03AD30
Chemical structure group: DG00045
Efficacy
Antispasmodic
Comment
Papaverine derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
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
    A03AD Papaverine and derivatives
     A03AD30 Moxaverine
      D08238  Moxaverine hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D08238  Moxaverine hydrochloride
Other DBs
CAS: 1163-37-7
PubChem: 96024926
LigandBox: D08238
NIKKAJI: J414.962I
LinkDB
KCF data

ATOM        24
            1   C8y C    19.6000  -13.3700
            2   N5x N    19.6000  -14.7700
            3   C8y C    18.4100  -15.4700
            4   C8y C    17.1500  -14.7700
            5   C8y C    17.1500  -13.3700
            6   C8x C    18.4100  -12.6700
            7   C8x C    15.9600  -15.4700
            8   C8y C    14.7700  -14.7700
            9   C8y C    14.7700  -13.3700
            10  C8x C    15.9600  -12.6700
            11  C1b C    20.7900  -12.6700
            12  C1a C    21.9800  -13.3700
            13  O2a O    13.5800  -12.6700
            14  C1a C    12.3200  -13.3700
            15  O2a O    13.5800  -15.4700
            16  C1a C    12.3200  -14.7700
            17  C1b C    18.4100  -16.8700
            18  C8y C    19.6000  -17.5700
            19  C8x C    20.7900  -16.8700
            20  C8x C    21.9800  -17.5700
            21  C8x C    21.9800  -18.9700
            22  C8x C    20.7900  -19.6700
            23  C8x C    19.6000  -18.9700
            24  X   Cl   24.9900  -17.9900
BOND        25
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14    9  13 1
            15   13  14 1
            16    8  15 1
            17   15  16 1
            18    3  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1

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