KEGG   DRUG: Primaquine
Entry
D08420                      Drug                                   

Name
Primaquine (INN);
Kanaprim (TN)
Formula
C15H21N3O
Exact mass
259.1685
Mol weight
259.3467
Structure
Simcomp
Remark
Same as: C07627
ATC code: P01BA03
Chemical structure group: DG01016
Product (DG01016): D02126<JP/US>
Efficacy
Antimalarial
Comment
Aminoquinoline derivative
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA03 Primaquine
      D08420  Primaquine (INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Aminoquinoline
    D08420  Primaquine (INN)
Other DBs
CAS: 90-34-6
PubChem: 96025106
ChEBI: 8405
ChEMBL: CHEMBL506
DrugBank: DB01087
LigandBox: D08420
NIKKAJI: J4.316H
LinkDB
KCF data

ATOM        19
            1   C8y C    16.7795  -16.5032
            2   C8y C    18.0384  -15.8039
            3   C8x C    15.5906  -15.8039
            4   N1b N    16.7795  -17.9719
            5   C8y C    18.0384  -14.4051
            6   N5x N    19.1573  -16.5731
            7   C8y C    15.5905  -14.3352
            8   C1c C    17.9684  -18.6713
            9   C8x C    16.8495  -13.6358
            10  C8x C    19.2273  -13.7058
            11  C8x C    20.3463  -15.8738
            12  O2a O    14.4717  -13.6358
            13  C1b C    19.1573  -17.9719
            14  C1a C    17.9684  -20.1399
            15  C8x C    20.3463  -14.4051
            16  C1b C    20.3463  -18.6713
            17  C1b C    21.5352  -17.9719
            18  N1a N    22.7240  -18.6713
            19  C1a C    13.2440  -14.2884
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1
            14   10  15 2
            15   13  16 1
            16   16  17 1
            17   17  18 1
            18    7   9 2
            19   11  15 1
            20   12  19 1

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KEGG   DRUG: Primaquine phosphate
Entry
D02126                      Drug                                   

Name
Primaquine phosphate (JAN/USP);
Primaquine (TN)
Product
  Generic
Formula
C15H21N3O. 2H3PO4
Exact mass
455.1223
Mol weight
455.3371
Structure
Remark
Therapeutic category: 6419
ATC code: P01BA03
Chemical structure group: DG01016
Product (DG01016): D02126<JP/US>
Efficacy
Antimalarial
  Disease
Vivax malaria [DS:H00361]
Comment
Aminoquinoline derivative
Interaction
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA03 Primaquine
      D02126  Primaquine phosphate (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Primaquine
    D02126  Primaquine phosphate (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  64  Parasitics (systemic)
   641  Antiprotozoans
    6419  Others
     D02126  Primaquine phosphate (JAN/USP)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Aminoquinoline
    D02126  Primaquine phosphate (JAN/USP) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02126
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D02126
Other DBs
CAS: 63-45-6
PubChem: 7849187
ChEMBL: CHEMBL43128
DrugBank: DB01087
LigandBox: D02126
NIKKAJI: J237.754C
LinkDB
KCF data

ATOM        29
            1   C8y C    15.4933  -16.0766
            2   C8x C    15.4933  -17.4766
            3   C8y C    16.7058  -18.1766
            4   C8y C    17.9181  -17.4766
            5   C8y C    17.9181  -16.0766
            6   C8x C    16.7058  -15.3766
            7   N5x N    19.1305  -18.1766
            8   C8x C    20.3430  -17.4766
            9   C8x C    20.3430  -16.0766
            10  C8x C    19.1305  -15.3766
            11  O2a O    14.2809  -15.3766
            12  C1a C    14.2800  -13.9766
            13  N1b N    16.7067  -19.5766
            14  C1c C    17.9195  -20.2757
            15  C1b C    19.1323  -19.5766
            16  C1b C    20.3448  -20.2765
            17  C1b C    21.5572  -19.5766
            18  N1a N    22.7695  -20.2765
            19  C1a C    17.9195  -21.6765
            20  P1b P    27.8598  -17.2899
            21  O1c O    27.8598  -15.8899
            22  O1c O    26.4599  -17.2899
            23  O1c O    29.2598  -17.2899
            24  O1c O    27.8598  -18.6898
            25  P1b P    27.8598  -17.2899
            26  O1c O    27.8598  -15.8899
            27  O1c O    26.4599  -17.2899
            28  O1c O    29.2598  -17.2899
            29  O1c O    27.8598  -18.6898
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14    3  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   14  19 1
            21   20  21 2
            22   20  22 1
            23   20  23 1
            24   20  24 1
            25   25  26 2
            26   25  27 1
            27   25  28 1
            28   25  29 1
BRACKET     1    24.8500  -19.6000   24.8500  -15.1200
            1    30.8700  -15.1200   30.8700  -19.6000
            1  2
 ORIGINAL  1   20  21  22  23  24
 REPEAT    1   25  26  27  28  29

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