KEGG   COMPOUND: C07456Help
Entry
C07456                      Compound                               

Name
Isosorbide dinitrate
Formula
C6H8N2O8
Exact mass
236.0281
Mol weight
236.1363
Structure
Mol fileKCF fileDB search
Remark
Same as: D00516
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01D VASODILATORS USED IN CARDIAC DISEASES
    C01DA Organic nitrates
     C01DA08 Isosorbide dinitrate
      D00516  Isosorbide dinitrate (JP17/USP/INN) <JP/US>
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AE Muscle relaxants
     C05AE02 Isosorbide dinitrate
      D00516  Isosorbide dinitrate (JP17/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Vasodilators, Direct-acting Arterial/Venous
   Isosorbide dinitrate
    D00516  Isosorbide dinitrate (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D00516  Isosorbide dinitrate (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00516  Isosorbide dinitrate
  D00516  Isosorbide dinitrate tablets
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D00516
BRITE hierarchy
Other DBs
CAS: 87-33-2
PubChem: 9659
ChEBI: 6061
ChEMBL: CHEMBL6622
NIKKAJI: J3.899G
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1y C    32.1300  -17.9200
            2   C1y C    32.1300  -16.5200
            3   C1y C    30.8000  -16.1000
            4   C1x C    30.0300  -17.2200
            5   O2x O    30.8000  -18.3400
            6   C1y C    33.4600  -18.3400
            7   C1x C    34.3000  -17.2200
            8   O2x O    33.4600  -16.1000
            9   O2a O    33.8800  -19.6700
            10  O2a O    30.3800  -14.7700
            11  N2b N    28.9800  -14.7700 #+
            12  O3a O    28.2100  -13.5100 #-
            13  O3a O    28.2800  -15.9600
            14  N2b N    35.2800  -19.6700 #+
            15  O3a O    35.9800  -20.8600 #-
            16  O3a O    35.9800  -18.3400
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    6   9 1 #Up
            11    3  10 1 #Down
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15    9  14 1
            16   14  15 1
            17   14  16 2

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