KEGG   DRUG: D07174Help
Entry
D07174                      Drug                                   
Name
Pentifylline (INN)
Formula
C13H20N4O2
Exact mass
264.1586
Mol weight
264.3235
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AD Purine derivatives
     C04AD01 Pentifylline
      D07174  Pentifylline (INN)
BRITE hierarchy
Other DBs
CAS: 
1028-33-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        19
            1   C8y C    26.0117  -17.0537
            2   C8y C    26.0117  -18.4573
            3   N4y N    27.2272  -19.1591
            4   C8y C    28.4428  -18.4573
            5   N4y N    28.4428  -17.0537
            6   C8y C    27.2272  -16.3519
            7   N4y N    24.6559  -16.6905
            8   C8x C    23.8915  -17.8676
            9   N5x N    24.7748  -18.9584
            10  O5x O    27.2272  -14.9485
            11  O5x O    29.6770  -19.1701
            12  C1a C    27.2272  -20.5625
            13  C1a C    24.1420  -15.3516
            14  C1b C    29.6324  -16.3800
            15  C1b C    30.8449  -17.0800
            16  C1b C    32.0573  -16.3800
            17  C1b C    33.2697  -17.0800
            18  C1b C    34.4822  -16.3800
            19  C1a C    35.6946  -17.0800
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 2
            10    9   2 1
            11    6  10 2
            12    4  11 2
            13    3  12 1
            14    7  13 1
            15    5  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1

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