KEGG   DRUG: Pentaerythritol tetranitrateHelp
Entry
D01721                      Drug                                   

Name
Pentaerythritol tetranitrate (JAN);
Pentaerithrityl tetranitrate (INN);
Pentritol tempules (TN)
Formula
C5H8N4O12
Exact mass
316.0139
Mol weight
316.1366
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01657  Nitrovasodilator
Gastrointestinal agent
 DG01770  Laxative
  DG01767  Osmotic laxative
Remark
ATC code: A06AD14 C01DA05
Efficacy
Vasodilator
Comment
Organic nitrate
Interaction
Drug 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)
BRITE hierarchy
Other DBs
CAS: 78-11-5
PubChem: 7848784
ChEBI: 25879
ChEMBL: CHEMBL466659
LigandBox: D01721
NIKKAJI: J1.951H
LinkDB All DBs
KCF data Show

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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