KEGG   DRUG: D07155Help
Entry
D07155                      Drug                                   

Name
Theodrenaline (INN)
Formula
C17H21N5O5
Exact mass
375.1543
Mol weight
375.3791
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA23 Theodrenaline
      D07155  Theodrenaline (INN)
BRITE hierarchy
Other DBs
CAS: 
13460-98-5
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    23.3800  -17.1500
            2   C8y C    23.3800  -18.6200
            3   C8y C    24.5700  -16.4500
            4   N4y N    22.1200  -16.7300
            5   N4y N    24.5700  -19.2500
            6   N5x N    22.1200  -19.0400
            7   N4y N    25.8300  -17.2200
            8   O5x O    24.5700  -15.1200
            9   C8x C    21.2800  -17.9200
            10  C8y C    25.8300  -18.5500
            11  C1a C    24.5700  -20.7200
            12  C1a C    27.0200  -16.5200
            13  O5x O    27.0900  -19.2500
            14  C1b C    20.9076  -16.0300
            15  C1b C    19.6951  -16.7300
            16  N1b N    18.4827  -16.0300
            17  C1b C    17.2703  -16.7300
            18  C1c C    16.0578  -16.0300
            19  C8y C    14.8454  -16.7300
            20  C8x C    13.6289  -16.0277
            21  C8y C    12.4165  -16.7277
            22  C8y C    12.4165  -18.1277
            23  C8x C    13.6329  -18.8300
            24  C8x C    14.8454  -18.1300
            25  O1a O    11.1854  -16.0166
            26  O1a O    11.1833  -18.8398
            27  O1a O    16.0578  -14.6303
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    7  12 1
            12   10  13 2
            13    6   9 2
            14    7  10 1
            15    4  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   21  25 1
            28   22  26 1
            29   18  27 1

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