KEGG   COMPOUND: C07424Help
Entry
C07424                      Compound                               

Name
Pentoxifylline
Formula
C13H18N4O3
Exact mass
278.1379
Mol weight
278.307
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AD Purine derivatives
     C04AD03 Pentoxifylline
      D00501  Pentoxifylline (JAN/USP/INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Cardiovascular Agents, Other
   Pentoxifylline
    D00501  Pentoxifylline (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
6493-05-6
PubChem: 
ChEBI: 
ChEMBL: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        20
            1   C8y C    20.8239  -18.4795
            2   C8y C    20.8239  -19.9063
            3   C8y C    22.0285  -17.7718
            4   N4y N    19.5197  -18.0467
            5   N4y N    22.0285  -20.5907
            6   N5x N    19.5197  -20.3391
            7   N4y N    23.2508  -18.5087
            8   O5x O    22.0285  -16.3916
            9   C8x C    18.7009  -19.2046
            10  C1a C    19.0811  -16.7191
            11  C8y C    23.2508  -19.8538
            12  C1a C    22.0285  -22.0234
            13  C1b C    24.4671  -17.8186
            14  O5x O    24.5023  -20.5556
            15  C1b C    25.6720  -18.5146
            16  C1b C    26.8825  -17.8129
            17  C1b C    28.0872  -18.5146
            18  C5a C    29.2977  -17.8129
            19  C1a C    30.5083  -18.5146
            20  O5a O    29.2977  -16.4150
BOND        21
            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     4  10 1
            10    5  11 1
            11    5  12 1
            12    7  13 1
            13   11  14 2
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 2
            20    6   9 2
            21    7  11 1

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