KEGG   DRUG: Erythrityl tetranitrate
Entry
D04051                      Drug                                   

Name
Erythrityl tetranitrate (USAN);
Eritrityl tetranitrate (INN);
Cardilate (TN)
Formula
C4H6N4O12
Exact mass
301.9982
Mol weight
302.11
Structure
Class
Cardiovascular agent
 DG01657  Nitrovasodilator
Remark
ATC code: C01DA13
Efficacy
Vasodilator (coronary), Atrial natriuretic peptide receptor agonist
Comment
Organic nitrate
Target
NPR [HSA:4881 4882] [KO:K12323 K12324]
  Pathway
hsa04270  Vascular smooth muscle contraction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01D VASODILATORS USED IN CARDIAC DISEASES
    C01DA Organic nitrates
     C01DA13 Eritrityl tetranitrate
      D04051  Erythrityl tetranitrate (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    NPR
     D04051  Erythrityl tetranitrate (USAN)
Other DBs
CAS: 7297-25-8
PubChem: 47206013
ChEBI: 60072
ChEMBL: CHEMBL2107583
LigandBox: D04051
NIKKAJI: J8.922B
LinkDB
KCF data

ATOM        20
            1   C1b C    19.9787  -16.2946
            2   C1c C    21.1890  -16.9952
            3   C1c C    22.3992  -16.3017
            4   C1b C    23.6095  -17.0024
            5   O2a O    24.8197  -16.3087
            6   N2b N    26.0299  -17.0094 #+
            7   O2a O    18.7642  -16.9937
            8   O3a O    27.2444  -16.3102 #-
            9   N2b N    17.5516  -16.2917 #+
            10  O3a O    16.3371  -16.9908 #-
            11  O3a O    17.5531  -14.8903
            12  O2a O    21.1855  -18.4151
            13  O2a O    22.4023  -14.9004
            14  N2b N    23.6174  -14.2022 #+
            15  O3a O    23.6205  -12.8009
            16  O3a O    24.8167  -14.8983 #-
            17  O3a O    26.0281  -18.4153
            18  N2b N    22.4122  -19.1275 #+
            19  O3a O    23.9746  -18.5015 #-
            20  O3a O    22.4086  -20.5100
BOND        19
            1     7   9 1
            2     3   4 1
            3     9  10 1
            4     9  11 2
            5     1   2 1
            6     1   7 1
            7     4   5 1
            8     5   6 1
            9     2   3 1
            10    6   8 1
            11    2  12 1 #Up
            12   13  14 1
            13   14  15 2
            14    3  13 1 #Down
            15   14  16 1
            16    6  17 2
            17   12  18 1
            18   18  19 1
            19   18  20 2

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