KEGG   DRUG: Pentaerythritol tetranitrate
Entry
D01721                      Drug                                   

Name
Pentaerythritol tetranitrate (JAN);
Pentaerithrityl tetranitrate (INN);
Pentritol tempules (TN)
Formula
C5H8N4O12
Exact mass
316.0139
Mol weight
316.1366
Structure
Simcomp
Class
Cardiovascular agent
 DG01657  Nitrovasodilator
Gastrointestinal agent
 DG01770  Laxative
  DG01767  Osmotic laxative
Remark
ATC code: A06AD14 C01DA05
Efficacy
Vasodilator
Comment
Organic nitrate
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AD Osmotically acting laxatives
     A06AD14 Pentaerithrityl
      D01721  Pentaerythritol tetranitrate (JAN)
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01D VASODILATORS USED IN CARDIAC DISEASES
    C01DA Organic nitrates
     C01DA05 Pentaerithrityl tetranitrate
      D01721  Pentaerythritol tetranitrate (JAN)
Other DBs
CAS: 78-11-5
PubChem: 7848784
ChEBI: 25879
ChEMBL: CHEMBL466659
LigandBox: D01721
NIKKAJI: J1.951H
LinkDB
KCF data

ATOM        21
            1   C1d C    24.5870  -19.2183
            2   C1b C    23.1870  -19.2183
            3   C1b C    25.9870  -19.2183
            4   C1b C    24.5799  -17.8183
            5   C1b C    24.5799  -20.6183
            6   O2a O    25.7888  -17.1122
            7   O2a O    26.6870  -20.4308
            8   O2a O    23.3640  -21.3122
            9   O2a O    22.4870  -18.0058
            10  N2b N    25.7817  -15.7122 #+
            11  N2b N    28.0870  -20.4308 #+
            12  N2b N    23.3569  -22.7122 #+
            13  N2b N    21.0870  -18.0058 #+
            14  O3a O    27.2006  -14.8660 #-
            15  O3a O    24.5658  -15.0183
            16  O3a O    20.3870  -16.7935 #-
            17  O3a O    20.3870  -19.2183
            18  O3a O    28.7870  -21.6431 #-
            19  O3a O    28.7870  -19.2183
            20  O3a O    22.1410  -23.4061 #-
            21  O3a O    24.5658  -23.4183
BOND        20
            1     7  11 1
            2     4   6 1
            3     8  12 1
            4     1   2 1
            5     9  13 1
            6     3   7 1
            7    10  14 1
            8     1   4 1
            9    10  15 2
            10    5   8 1
            11   13  16 1
            12   13  17 2
            13    2   9 1
            14   11  18 1
            15    1   5 1
            16   11  19 2
            17    6  10 1
            18   12  20 1
            19    1   3 1
            20   12  21 2

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