KEGG   DRUG: D02379Help
Entry
D02379                      Drug                                   
Name
Diethyltoluamide (USP/INN);
DEET
Formula
C12H17NO
Exact mass
191.131
Mol weight
191.2695
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Repellant, arthropod
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
   P03B INSECTICIDES AND REPELLENTS
    P03BX Other insecticides and repellents
     P03BX01 Diethyltoluamide
      D02379  Diethyltoluamide (USP/INN)
BRITE hierarchy
Other DBs
CAS: 
134-62-3
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        14
            1   N1c N    22.9607  -16.2923
            2   C1b C    22.9538  -17.6944
            3   C1a C    24.1653  -18.4051
            4   C1b C    24.1796  -15.6009
            5   C8x C    18.1205  -16.2923
            6   C8x C    18.1205  -17.6944
            7   C8y C    19.3315  -18.3990
            8   C8x C    20.5426  -17.6944
            9   C8y C    20.5426  -16.2923
            10  C8x C    19.3315  -15.5948
            11  C5a C    21.7490  -15.5948
            12  O5a O    21.7477  -14.1929
            13  C1a C    19.3334  -19.8010
            14  C1a C    25.3823  -16.3075
BOND        14
            1     5   6 2
            2     6   7 1
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6    10   5 1
            7     2   3 1
            8     9  11 1
            9    11   1 1
            10    4   1 1
            11   11  12 2
            12    7  13 1
            13    1   2 1
            14    4  14 1

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