KEGG   COMPOUND: C07631
Entry
C07631                      Compound                               
Name
Proguanil;
Chloroguanide;
N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide
Formula
C11H16ClN5
Exact mass
253.1094
Mol weight
253.7312
Structure
Remark
Same as: D08428
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BB Biguanides
     P01BB01 Proguanil
      D08428  Proguanil (INN)
Drug groups [BR:br08330]
 Antiparasitic
  DG01932  Antifolate, antiprotozoal
   DG01018  Proguanil
    D08428  Proguanil
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG01018  Proguanil
    D08428  Proguanil
Antimicrobials [BR:br08307]
 Antiparasitics
  Antmalarials
   Biguanide
    D08428  Proguanil (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08428
Other DBs
CAS: 500-92-5
PubChem: 9833
ChEBI: 8455
PDB-CCD: XEW[PDBj]
NIKKAJI: J9.398J
LinkDB
KCF data

ATOM        17
            1   C8x C    16.2400  -16.0300
            2   C8y C    16.2400  -17.4300
            3   C8x C    17.4300  -18.1300
            4   C8x C    18.6200  -17.4300
            5   C8y C    18.6200  -16.0300
            6   C8x C    17.4300  -15.3300
            7   X   Cl   14.9800  -18.1300
            8   N1b N    19.8800  -15.3300
            9   C2c C    21.0700  -16.0300
            10  N1b N    22.2600  -15.3300
            11  N2a N    21.0700  -17.4300
            12  C2c C    23.4500  -16.0300
            13  N1b N    24.7100  -15.3300
            14  N2a N    23.4500  -17.4300
            15  C1c C    25.9000  -16.0300
            16  C1a C    27.0900  -15.3300
            17  C1a C    25.9000  -17.4300
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   15  16 1
            17   15  17 1

» Japanese version

DBGET integrated database retrieval system