KEGG   DRUG: D02045Help
Entry
D02045                      Drug                                   

Name
Benidipine hydrochloride (JP16);
KW 3049;
Coniel (TN)
Formula
C28H31N3O6. HCl
Exact mass
541.198
Mol weight
542.0232
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator [coronary]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
calcium channel L type blocker [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CA Dihydropyridine derivatives
     C08CA15 Benidipine
      D02045  Benidipine hydrochloride (JP16)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D02045  Benidipine hydrochloride (JP16)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel L type
     Benidipine
      D02045  Benidipine hydrochloride (JP16)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Benidipine
    D02045  Benidipine hydrochloride (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02045  Benidipine hydrochloride
  D02045  Benidipine hydrochloride tablets
BRITE hierarchy
Other DBs
CAS: 
91599-74-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        38
            1   C2y C    14.4452  -13.8847
            2   C2y C    14.4452  -15.2841
            3   C1y C    15.6580  -15.9839
            4   C2y C    16.8709  -15.2841
            5   C2y C    16.8709  -13.8847
            6   N1x N    15.6580  -13.1850
            7   C1a C    13.2323  -13.1850
            8   C1a C    18.0838  -13.1850
            9   C8y C    15.6580  -17.3833
            10  C8x C    14.4452  -18.0831
            11  C8x C    14.4452  -19.4825
            12  C8x C    15.6580  -20.1822
            13  C8y C    16.8709  -19.4825
            14  C8x C    16.8709  -18.0831
            15  N2b N    18.0838  -20.1822 #+
            16  O3a O    19.5766  -19.1325
            17  O3a O    18.0838  -21.5817 #-
            18  C7a C    18.0838  -15.9839
            19  O7a O    19.2966  -15.2841
            20  O6a O    18.0838  -17.3833
            21  C1y C    20.5095  -15.9839
            22  C1x C    20.5095  -17.3833
            23  C1x C    21.7223  -18.0831
            24  C1x C    22.9351  -17.3833
            25  N1y N    22.9351  -15.9839
            26  C1x C    21.7223  -15.2841
            27  C1b C    24.1480  -15.2841
            28  C8y C    25.3608  -15.9839
            29  C7a C    13.2323  -15.9839
            30  O7a O    12.0195  -15.2841
            31  O6a O    13.2323  -17.3833
            32  C1a C    10.8066  -15.9839
            33  C8x C    25.3608  -17.3833
            34  C8x C    26.5737  -18.0831
            35  C8x C    27.7866  -17.3833
            36  C8x C    27.7866  -15.9839
            37  C8x C    26.5737  -15.2841
            38  X   Cl   31.7098  -16.8233
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     3   9 1 #Down
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   13  15 1
            17   15  16 2
            18   15  17 1
            19    4  18 1
            20   18  19 1
            21   18  20 2
            22   21  19 1 #Up
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   21  26 1
            29   25  27 1
            30   27  28 1
            31    2  29 1
            32   29  30 1
            33   29  31 2
            34   30  32 1
            35   28  33 2
            36   33  34 1
            37   34  35 2
            38   35  36 1
            39   36  37 2
            40   28  37 1

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