KEGG   COMPOUND: C13202Help
Entry
C13202                      Compound                               

Name
alpha-Tocopherol acetate;
Tocopherol acetate
Formula
C31H52O3
Exact mass
472.3916
Mol weight
472.7428
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
Vitamin digestion and absorption
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11H OTHER PLAIN VITAMIN PREPARATIONS
    A11HA Other plain vitamin preparations
     A11HA03 Tocopherol (vit E)
      D01735  Tocopherol acetate (JP16)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   315  Vitamin E preparations
    3150  Vitamin E preparations
     D01735  Tocopherol acetate (JP16)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for  urogenital organs and anus
  29 Hemorrhoid drugs for internal use
   D01735  Tocopherol acetate (JP16)
 Nourishing tonics and health supplements
  34 Vitamin E based drugs
   D01735  Tocopherol acetate (JP16)
  41 Vitamin EC based drugs
   D01735  Tocopherol acetate (JP16)
  43 Vitamin containing supplements
   D01735  Tocopherol acetate (JP16)
 Agents for integumentary system
  55 Chilblain and chap remedies
   D01735  Tocopherol acetate (JP16)
 Agents for ophthalmologic use
  62 General eye drops
   D01735  Tocopherol acetate (JP16)
 Agents for dental and stomatological use
  -- Pyorrhea remedies for external use
   D01735  Tocopherol acetate (JP16)
  -- Agents for lip
   D01735  Tocopherol acetate (JP16)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 3
  Inorganic and organic chemicals
   Tocopherol acetate
    D01735  Tocopherol acetate (JP16)
Pharmaceutical additives [BR:br08316]
 Stabilizing agent
  D01735  [001263] Tocopherol acetate
 Antioxidant agent
  D01735  [001263] Tocopherol acetate
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01735  Tocopherol acetate
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  958  Agents for protective skin
   9582  Vitamin preparations (for external use)
    C13202  Tocopherol acetate
 96  Agents affecting metabolism
  962  Vitamin preparations
   9625  Vitamin E and preparations
    C13202  Tocopherol acetate
BRITE hierarchy
Other DBs
CAS: 
7695-91-2
PubChem: 
KCF data Show

ATOM        34
            1   C8y C    11.2169  -13.9277
            2   C8y C    11.2169  -12.5630
            3   O2x O    12.4531  -14.6498
            4   C8y C    10.0481  -14.6498
            5   C1x C    12.4531  -11.8470
            6   C8y C    10.0481  -11.8470
            7   C1z C    13.6278  -13.9277
            8   C8y C     8.8120  -13.9277
            9   C1a C    10.0481  -16.0387
            10  C1x C    13.6278  -12.5630
            11  C8y C     8.8120  -12.5630
            12  C1a C    10.0481  -10.4580
            13  C1b C    14.8763  -14.6498
            14  C1a C    13.6278  -15.2984
            15  C1a C     7.5820  -14.6498
            16  O7a O     7.5820  -11.8470
            17  C1b C    16.0633  -14.0132
            18  C1b C    17.2810  -14.7230
            19  C1c C    18.5172  -14.0867
            20  C1b C    19.7226  -14.8088
            21  C1a C    18.5599  -12.7343
            22  C1b C    20.9466  -14.0867
            23  C1b C    22.1276  -14.8088
            24  C1c C    23.3635  -14.1234
            25  C1b C    24.5568  -14.8760
            26  C1a C    23.3635  -12.7772
            27  C1b C    25.7684  -14.1969
            28  C1b C    26.9494  -14.9435
            29  C1c C    28.1733  -14.1969
            30  C1a C    28.1733  -12.8507
            31  C1a C    29.3665  -14.9435
            32  C7a C     6.3116  -12.5746
            33  C1a C     5.0463  -11.8379
            34  O6a O     6.3063  -14.0384
BOND        35
            1     1   4 2
            2     2   5 1
            3     2   6 2
            4     3   7 1
            5     4   8 1
            6     4   9 1
            7     5  10 1
            8     6  11 1
            9     6  12 1
            10    7  13 1 #Up
            11    7  14 1
            12    8  15 1
            13   11  16 1
            14   13  17 1
            15   17  18 1
            16   18  19 1
            17   19  20 1
            18   19  21 1 #Down
            19   20  22 1
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   24  26 1 #Down
            24   25  27 1
            25   27  28 1
            26   28  29 1
            27   29  30 1
            28   29  31 1
            29    7  10 1
            30    8  11 2
            31   16  32 1
            32    1   2 1
            33   32  33 1
            34    1   3 1
            35   32  34 2

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