KEGG   DRUG: Bioallethrin
Entry
D07530                      Drug                                   

Name
Bioallethrin (BAN);
Duocide [veterinary] (TN)
Formula
C19H26O3
Exact mass
302.1882
Mol weight
302.4079
Structure
Simcomp
Remark
Same as: C14337
ATC code: P03AC02
Efficacy
Insecticide
Comment
Pyrethroid (pyrethrin derivative)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P03 ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
   P03A ECTOPARASITICIDES, INCL. SCABICIDES
    P03AC Pyrethrines, incl. synthetic compounds
     P03AC02 Bioallethrin
      D07530  Bioallethrin (BAN)
Other DBs
CAS: 584-79-2
PubChem: 51091853
ChEBI: 34572
ChEMBL: CHEMBL1872535
LigandBox: D07530
NIKKAJI: J445F
KCF data

ATOM        22
            1   C1y C    22.1200  -19.3900
            2   C1y C    20.7200  -19.3900
            3   C1z C    21.4200  -18.1300
            4   C7a C    23.3800  -18.6900
            5   C2b C    19.5300  -18.6900
            6   C1a C    20.7200  -16.9400
            7   C1a C    22.1200  -16.9400
            8   O7a O    24.5700  -19.3900
            9   O6a O    23.3800  -17.2900
            10  C2c C    18.3400  -19.3900
            11  C1y C    25.7600  -18.6900
            12  C1a C    17.1500  -18.6900
            13  C1a C    18.3400  -20.7900
            14  C2y C    27.1600  -18.6900
            15  C1x C    25.3400  -17.3600
            16  C2y C    27.6500  -17.3600
            17  C1a C    28.0000  -19.8100
            18  C5x C    26.4600  -16.5200
            19  C1b C    28.8400  -16.6600
            20  O5x O    26.4600  -15.1200
            21  C2b C    30.0300  -17.3600
            22  C2a C    31.2200  -16.6600
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 2
            10   11   8 1
            11   10  12 1
            12   10  13 1
            13   11  14 1
            14   11  15 1
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   18  20 2
            20   19  21 1
            21   21  22 2
            22    2   3 1
            23   16  18 1

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