KEGG   DRUG: D03804Help
Entry
D03804                      Drug                                   

Name
Diethyl phthalate (NF)
Formula
C12H14O4
Exact mass
222.0892
Mol weight
222.2372
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Pharmaceutic aid [plasticizer]
Remark
Same as: 
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Category 3
  Inorganic and organic chemicals
   Diethyl phthalate
    D03804  Diethyl phthalate (NF)
Pharmaceutical additives [BR:br08316]
 Plasticizer
  D03804  [101815] Diethyl phthalate
 Coating agent
  D03804  [101815] Diethyl phthalate
BRITE hierarchy
Other DBs
CAS: 
84-66-2
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8x C    18.1618  -16.2281
            2   C8x C    18.1629  -17.6183
            3   C8x C    19.3650  -15.5321
            4   C8x C    19.3673  -18.3125
            5   C8y C    20.5695  -16.2261
            6   C8y C    20.5707  -17.6163
            7   C7a C    21.7729  -15.5302
            8   C7a C    21.7752  -18.3104
            9   O7a O    22.9773  -16.2243
            10  O7a O    22.9784  -17.6144
            11  C1b C    24.1701  -15.5340
            12  C1a C    25.3852  -16.2343
            13  C1b C    24.1516  -18.2902
            14  C1a C    25.3419  -17.6014
            15  O6a O    21.7718  -14.1154
            16  O6a O    21.7761  -19.8845
BOND        16
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     5   7 1
            8     6   8 1
            9     7   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 1
            15    7  15 2
            16    8  16 2

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