KEGG   DRUG: ThebaconHelp
Entry
D07386                      Drug                                   

Name
Thebacon (INN)
Formula
C20H23NO4
Exact mass
341.1627
Mol weight
341.4009
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: R05DA10
Chemical structure group: DG01079
Efficacy
Analgesic (narcotic), 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
      D07386  Thebacon (INN)
BRITE hierarchy
Other DBs
CAS: 466-90-0
PubChem: 51091722
ChEMBL: CHEMBL2104751
LigandBox: D07386
NIKKAJI: J5.903J
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    17.7445  -13.5440
            2   C8y C    17.7445  -14.8810
            3   C8y C    18.9024  -15.5495
            4   C8y C    20.0604  -14.8810
            5   C8x C    20.0604  -13.5440
            6   C8x C    18.9024  -12.8755
            7   C1z C    18.9024  -16.8866
            8   C1y C    20.0604  -17.5551
            9   C1y C    21.2182  -16.8866
            10  C1x C    21.2182  -15.5495
            11  C1y C    17.7445  -17.5551
            12  C2y C    17.7445  -18.8921
            13  C2x C    18.9024  -19.5606
            14  C1x C    20.0604  -18.8921
            15  O2x O    16.8086  -16.2181
            16  N1y N    22.3781  -17.5562
            17  O2a O    16.5867  -12.8755
            18  C1a C    15.4449  -13.5348
            19  O7a O    16.5867  -19.5606
            20  C7a C    15.4449  -18.9013
            21  C1a C    14.3109  -19.5560
            22  O6a O    15.4448  -17.5554
            23  C1x C    19.8531  -15.9686
            24  C1x C    22.3434  -15.9508
            25  C1a C    23.0530  -18.6968
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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