KEGG   DRUG: D01138Help
Entry
D01138                      Drug                                   
Name
Benzyl benzoate (JP16/USP);
Benylate (TN)
Formula
C14H12O2
Exact mass
212.0837
Mol weight
212.2439
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
ATC code: 
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
    P03AX Other ectoparasiticides, incl. scabicides
     P03AX01 Benzyl benzoate
      D01138  Benzyl benzoate (JP16/USP)
BRITE hierarchy
Other DBs
CAS: 
120-51-4
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C8x C    16.3552  -17.3989
            2   C8x C    16.3552  -18.8027
            3   C8x C    17.5738  -19.5046
            4   C8x C    18.7853  -18.8027
            5   C8y C    18.7853  -17.3989
            6   C8x C    17.5738  -16.6970
            7   C7a C    19.9922  -16.6970
            8   O7a O    21.2046  -17.3919
            9   C1b C    22.4170  -16.6900
            10  C8y C    23.6293  -17.3848
            11  C8x C    23.6337  -18.7821
            12  C8x C    24.8461  -19.4768
            13  C8x C    26.0540  -18.7744
            14  C8x C    26.0494  -17.3771
            15  C8x C    24.8371  -16.6822
            16  O6a O    19.9876  -15.2932
BOND        17
            1     7   8 1
            2     2   3 1
            3     8   9 1
            4     3   4 2
            5     9  10 1
            6     4   5 1
            7     5   6 2
            8     6   1 1
            9     5   7 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  10 1
            16    1   2 2
            17    7  16 2

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