KEGG   DRUG: Pentoxyverine citrate
Entry
D01260                      Drug                                   
Name
Pentoxyverine citrate (JP18);
Carbetapentane citrate;
Astomatop (TN)
Formula
C20H31NO3. C6H8O7
Exact mass
525.2574
Mol weight
525.59
Structure
Simcomp
Remark
Therapeutic category: 2224
ATC code: R05DB05
Chemical structure group: DG01084
Product (DG01084): D01260<JP>
Efficacy
Antitussive
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DB Other cough suppressants
     R05DB05 Pentoxyverine
      D01260  Pentoxyverine citrate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   222  Antitussives
    2224  Carbetapentanes
     D01260  Pentoxyverine citrate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Pentoxyverine
    D01260  Pentoxyverine citrate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01260  Pentoxyverine citrate
Other DBs
CAS: 23142-01-0
PubChem: 7848323
ChEBI: 31352
LigandBox: D01260
NIKKAJI: J244.534D
LinkDB
KCF data

ATOM        37
            1   C8x C    13.0250  -10.6390
            2   C8y C    13.7188  -11.8495
            3   C8x C    15.1139  -11.8539
            4   C8x C    15.8154  -10.6480
            5   C8x C    15.1216   -9.4376
            6   C8x C    13.7265   -9.4330
            7   C1z C    13.0141  -13.0611
            8   C7a C    14.2246  -13.7619
            9   O7a O    15.4350  -13.0611
            10  C1b C    16.6455  -13.7619
            11  C1b C    17.8559  -13.0611
            12  O2a O    19.0663  -13.7619
            13  C1b C    20.2768  -13.0611
            14  C1b C    21.4872  -13.7619
            15  N1c N    22.6977  -13.0611
            16  C1b C    23.9081  -13.7619
            17  C1a C    25.1186  -13.0611
            18  C1x C    12.5778  -14.3932
            19  C1x C    11.8771  -12.2341
            20  C1x C    10.7402  -13.0611
            21  C1x C    11.1763  -14.3932
            22  O6a O    14.2246  -15.1635
            23  C1b C    22.6977  -11.6596
            24  C1a C    23.9115  -10.9588
            25  C1d C    33.0050  -12.4974
            26  C1b C    31.7923  -13.1945
            27  C1b C    34.2176  -13.1885
            28  C6a C    33.6962  -11.2788
            29  O1a O    32.2960  -11.2788
            30  C6a C    30.5854  -12.5032
            31  C6a C    34.2059  -14.5887
            32  O6a O    32.9873  -10.0604
            33  O6a O    35.1022  -11.2788
            34  O6a O    29.3729  -13.2062
            35  O6a O    30.5737  -11.1032
            36  O6a O    35.4185  -15.2917
            37  O6a O    32.9873  -15.2858
BOND        37
            1     1   2 2
            2     8   9 1
            3     2   3 1
            4    18   7 1
            5     7  19 1
            6    19  20 1
            7    20  21 1
            8    21  18 1
            9     9  10 1
            10    8  22 2
            11    3   4 2
            12   15  23 1
            13   10  11 1
            14   23  24 1
            15    4   5 1
            16   11  12 1
            17    5   6 2
            18   12  13 1
            19    6   1 1
            20   13  14 1
            21   14  15 1
            22    2   7 1
            23   15  16 1
            24   16  17 1
            25    7   8 1
            26   25  26 1
            27   25  27 1
            28   25  28 1
            29   25  29 1
            30   26  30 1
            31   27  31 1
            32   28  32 1
            33   28  33 2
            34   30  34 1
            35   30  35 2
            36   31  36 1
            37   31  37 2

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