KEGG   DRUG: Pentrinitrol
Entry
D05430                      Drug                                   
Name
Pentrinitrol (USAN);
Petrin (TN)
Formula
C5H9N3O10
Exact mass
271.0288
Mol weight
271.1391
Structure
Simcomp
Class
Cardiovascular agent
 DG01657  Nitrovasodilator
Efficacy
Vasodilator (coronary)
Comment
Organic nitrate
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01657  Nitrovasodilator
   D05430  Pentrinitrol
Other DBs
CAS: 1607-17-6
PubChem: 47207101
LigandBox: D05430
NIKKAJI: J7.529I
LinkDB
KCF data

ATOM        18
            1   C1d C    24.5777  -19.2568
            2   C1b C    23.1901  -19.2568
            3   C1b C    25.9652  -19.2568
            4   C1b C    24.5706  -17.8693
            5   C1b C    24.5706  -20.6444
            6   O2a O    25.7687  -17.1695
            7   O2a O    26.6589  -20.4585
            8   O1a O    23.3656  -21.3321
            9   O2a O    22.4964  -18.0552
            10  N2b N    25.7617  -15.7820 #+
            11  N2b N    28.0464  -20.4585 #+
            12  N2b N    21.1089  -18.0552 #+
            13  O3a O    27.1679  -14.9434 #-
            14  O3a O    24.5566  -15.0943
            15  O3a O    20.4151  -16.8537 #-
            16  O3a O    20.4151  -19.2568
            17  O3a O    28.7402  -21.6600 #-
            18  O3a O    28.7402  -19.2568
BOND        17
            1     7  11 1
            2     4   6 1
            3     1   2 1
            4     9  12 1
            5     3   7 1
            6    10  13 1
            7     1   4 1
            8    10  14 2
            9     5   8 1
            10   12  15 1
            11   12  16 2
            12    2   9 1
            13   11  17 1
            14    1   5 1
            15   11  18 2
            16    6  10 1
            17    1   3 1

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