KEGG   DRUG: PentoxyverineHelp
Entry
D08334                      Drug                                   

Name
Pentoxyverine (INN);
Sedotussin (TN)
Formula
C20H31NO3
Exact mass
333.2304
Mol weight
333.465
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
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
      D08334  Pentoxyverine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Pentoxyverine
    D08334  Pentoxyverine (INN)
BRITE hierarchy
Other DBs
CAS: 77-23-6
PubChem: 96025021
ChEMBL: CHEMBL73234
LigandBox: D08334
NIKKAJI: J4.198J
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    19.2500  -16.2400
            2   C8y C    19.9500  -17.4300
            3   C8x C    21.3500  -17.4300
            4   C8x C    22.0500  -16.2400
            5   C8x C    21.3500  -15.0500
            6   C8x C    19.9500  -15.0500
            7   C1z C    19.2500  -18.6900
            8   C7a C    20.4400  -19.3900
            9   O7a O    21.7000  -18.6900
            10  C1b C    22.8900  -19.3900
            11  C1b C    24.0800  -18.6900
            12  O2a O    25.2700  -19.3900
            13  C1b C    26.5300  -18.6900
            14  C1b C    27.7200  -19.3900
            15  N1c N    28.9100  -18.6900
            16  C1b C    30.1700  -19.3900
            17  C1a C    31.3600  -18.6900
            18  C1x C    18.8300  -20.0200
            19  C1x C    18.1300  -17.8500
            20  C1x C    16.9400  -18.6900
            21  C1x C    17.4300  -20.0200
            22  O6a O    20.4400  -20.7900
            23  C1b C    28.9100  -17.2900
            24  C1a C    30.1700  -16.5900
BOND        25
            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

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