KEGG   DRUG: Thebacon hydrochloride
Entry
D08579                      Drug                                   
Name
Thebacon hydrochloride;
Acedicone (TN)
Formula
C20H23NO4. HCl
Exact mass
377.1394
Mol weight
377.8619
Structure
Simcomp
Remark
ATC code: R05DA10
Chemical structure group: DG01079
Efficacy
Antitussive
Comment
Opium alkaloid
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DA Opium alkaloids and derivatives
     R05DA10 Thebacon
      D08579  Thebacon hydrochloride
Other DBs
CAS: 20236-82-2
PubChem: 96025263
LigandBox: D08579
NIKKAJI: J281.169C
LinkDB
KCF data

ATOM        26
            1   C8y C    15.6721  -13.4997
            2   C8y C    15.6721  -14.8908
            3   C8y C    16.8545  -15.5168
            4   C8y C    18.0369  -14.8908
            5   C8x C    18.0369  -13.4997
            6   C8x C    16.8545  -12.8737
            7   C1z C    16.8545  -16.8383
            8   C1y C    18.0369  -17.5339
            9   C1y C    19.1498  -16.8383
            10  C1x C    19.1498  -15.5168
            11  C1y C    15.6721  -17.5339
            12  C2y C    15.6721  -18.8555
            13  C2x C    16.8545  -19.4815
            14  C1x C    18.0369  -18.8555
            15  O2x O    14.7678  -16.2123
            16  N1y N    20.3324  -17.5339
            17  O2a O    14.5592  -12.8737
            18  C1a C    13.4463  -13.4997
            19  O7a O    14.5592  -19.4815
            20  C7a C    13.4463  -18.8555
            21  C1a C    12.2639  -19.4815
            22  O6a O    13.4463  -17.5339
            23  C1x C    17.8283  -15.9341
            24  C1x C    20.3322  -15.9341
            25  C1a C    21.2359  -18.8550
            26  X   Cl   25.0621  -17.8817
BOND        29
            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     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    4  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    8  14 1
            17    2  15 1
            18   11  15 1
            19    9  16 1 #Up
            20    1  17 1
            21   17  18 1
            22   12  19 1
            23   19  20 1
            24   20  21 1
            25   20  22 2
            26    7  23 1 #Up
            27   16  24 1
            28   24  23 1
            29   16  25 1

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