KEGG   COMPOUND: C13280Help
Entry
C13280                      Compound                               

Name
Nicorandil
Formula
C8H9N3O4
Exact mass
211.0593
Mol weight
211.1748
Structure
Mol fileKCF fileDB search
Remark
Same as: D01810
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01D VASODILATORS USED IN CARDIAC DISEASES
    C01DX Other vasodilators used in cardiac diseases
     C01DX16 Nicorandil
      D01810  Nicorandil (JP17/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D01810  Nicorandil (JP17/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  ABC transporters
   ABCC subfamily
    ABCC8(SUR1)/KCNJ11(KIR6.2)
     D01810  Nicorandil (JP17/USAN/INN) <JP>
    ABCC9(SUR2)/KCNJ11(KIR6.2)
     D01810  Nicorandil (JP17/USAN/INN) <JP>
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    GUCY1
     D01810  Nicorandil (JP17/USAN/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01810  Nicorandil
BRITE hierarchy
Other DBs
CAS: 65141-46-0
PubChem: 586024
ChEBI: 31905
ChEMBL: CHEMBL284906
NIKKAJI: J4.534I
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8x C    19.6303  -15.6381
            2   C8x C    19.6303  -17.0409
            3   C8x C    20.8481  -17.7423
            4   C8y C    22.0587  -17.0409
            5   C8x C    22.0587  -15.6381
            6   N5x N    20.8481  -14.9368
            7   C5a C    23.2647  -17.7351
            8   N1b N    24.4762  -17.0338
            9   C1b C    25.6877  -17.7282
            10  C1b C    26.8992  -17.0268
            11  O2a O    28.1106  -17.7210
            12  N2b N    29.3221  -17.0196 #+
            13  O3a O    30.5336  -17.7139 #-
            14  O5a O    23.2664  -19.1379
            15  O3a O    29.3190  -15.6169
BOND        15
            1     1   2 2
            2     7   8 1
            3     2   3 1
            4     8   9 1
            5     3   4 2
            6     9  10 1
            7     4   5 1
            8    10  11 1
            9     5   6 2
            10   11  12 1
            11    6   1 1
            12   12  13 1
            13    7  14 2
            14    4   7 1
            15   12  15 2

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