KEGG   COMPOUND: C07714Help
Entry
C07714                      Compound                               

Name
Isosorbide mononitrate
Formula
C6H9NO6
Exact mass
191.043
Mol weight
191.1388
Structure
Mol fileKCF fileDB search
Remark
Same as: D00630
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01D VASODILATORS USED IN CARDIAC DISEASES
    C01DA Organic nitrates
     C01DA14 Isosorbide mononitrate
      D00630  Isosorbide mononitrate (JP17/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Vasodilators, Direct-acting Arterial/Venous
   Isosorbide mononitrate
    D00630  Isosorbide mononitrate (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D00630  Isosorbide mononitrate (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00630  Isosorbide mononitrate tablets
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D00630
BRITE hierarchy
Other DBs
CAS: 16051-77-7
PubChem: 9916
ChEMBL: CHEMBL1311
NIKKAJI: J22.753F
LinkDB All DBs
KCF data Show

ATOM        13
            1   C1y C    22.2003  -16.6308
            2   C1y C    22.2063  -15.2288
            3   C1y C    23.5383  -17.0691
            4   O2x O    20.8742  -17.0574
            5   C1y C    20.8742  -14.7905
            6   O2x O    23.5440  -14.7905
            7   C1x C    24.3620  -15.9297
            8   O2a O    23.9647  -18.3952
            9   C1x C    20.0505  -15.9240
            10  O1a O    20.4419  -13.4585
            11  N2b N    25.3318  -18.6932 #+
            12  O3a O    26.2725  -17.6591
            13  O3a O    25.7583  -20.0253 #-
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     5  10 1 #Down
            10    8  11 1
            11   11  12 2
            12   11  13 1
            13    5   9 1
            14    6   7 1

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