KEGG   DRUG: Clofedanol
Entry
D07721                      Drug                                   
Name
Clofedanol (INN);
Chlophedianol;
Antitussin (TN)
Formula
C17H20ClNO
Exact mass
289.1233
Mol weight
289.7998
Structure
Simcomp
Remark
ATC code: R05DB10
Chemical structure group: DG01087
Product (DG01087): D01389<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
     R05DB10 Clofedanol
      D07721  Clofedanol (INN)
Other DBs
CAS: 791-35-5
PubChem: 51092017
ChEBI: 135207
LigandBox: D07721
NIKKAJI: J7.095E
KCF data

ATOM        20
            1   C8x C    19.0400  -19.3200
            2   C8x C    19.0400  -20.7200
            3   C8x C    20.3000  -21.4200
            4   C8y C    21.4900  -20.7200
            5   C8y C    21.4900  -19.3200
            6   C8x C    20.3000  -18.6200
            7   C1d C    22.6800  -18.6200
            8   C8y C    23.9400  -19.3200
            9   C8x C    23.8700  -20.7200
            10  C8x C    25.1300  -21.4200
            11  C8x C    26.3200  -20.7200
            12  C8x C    26.3200  -19.3200
            13  C8x C    25.1300  -18.6200
            14  C1b C    22.6800  -17.2200
            15  C1b C    23.9400  -16.5200
            16  N1c N    23.8700  -15.1200
            17  C1a C    25.0600  -14.4200
            18  C1a C    22.6100  -14.4200
            19  X   Cl   22.6800  -21.4200
            20  O1a O    21.4900  -17.9200
BOND        21
            1     4   5 1
            2     5   6 2
            3     8   9 2
            4     9  10 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13   8 1
            9     6   1 1
            10    7  14 1
            11    5   7 1
            12   14  15 1
            13   15  16 1
            14    7   8 1
            15   16  17 1
            16    1   2 2
            17   16  18 1
            18    2   3 1
            19    4  19 1
            20    3   4 2
            21    7  20 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (9)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   MASSBANK (5)   
   NIKKAJI (1)   
All databases (12)   

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