KEGG COMPOUND: C13202

COMPOUND: C13202

Entry

C13202                      Compound

Name

alpha-Tocopherol acetate;
Tocopherol acetate

Formula

C31H52O3

Exact mass

472.3916

Mol weight

472.74

Structure

Remark

Same as:

D01735

Pathway

map04977

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 (JP18) <JP>
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 (JP18)
Classification of Japanese OTC drugs [BR:br08313]
Agents for  urogenital organs and anus
  29 Hemorrhoid drugs for internal use
   D01735  Tocopherol acetate (JP18)
Nourishing tonics and health supplements
  34 Vitamin E based drugs
   D01735  Tocopherol acetate (JP18)
  41 Vitamin EC based drugs
   D01735  Tocopherol acetate (JP18)
  43 Vitamin containing supplements
   D01735  Tocopherol acetate (JP18)
Agents for integumentary system
  55 Chilblain and chap remedies
   D01735  Tocopherol acetate (JP18)
Agents for ophthalmologic use
  62 General eye drops
   D01735  Tocopherol acetate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
  Inorganic and organic chemicals
   Tocopherol acetate
    D01735  Tocopherol acetate (JP18)
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
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
  D01735  Tocopherol acetate

Other DBs

CAS:

7695-91-2

PubChem:

585946

ChEBI:

32321

LinkDB

KCF data

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

» Japanese version

COMPOUND: C12981

Entry

C12981                      Compound

Name

dl-alpha-Tocopherol nicotinate;
Tocopheryl nicotinate

Formula

C35H53NO3

Exact mass

535.4025

Mol weight

535.80

Structure

Remark

Same as:

D01530

Pathway

map04977

Vitamin digestion and absorption

Brite

Other DBs

CAS:	51898-34-1

PubChem:

583370

ChEBI:

32239

NIKKAJI:

J299.341D

LinkDB

KCF data

ATOM        39
            1   C8y C    17.7244  -30.3909
            2   C8y C    17.7244  -28.9901
            3   C8y C    18.9851  -28.2896
            4   C8y C    18.9851  -31.0913
            5   C8y C    20.1758  -30.3909
            6   C8y C    20.1758  -28.9901
            7   C1x C    21.3665  -28.2896
            8   C1x C    22.6273  -28.9901
            9   C1z C    22.6273  -30.3909
            10  O2x O    21.3665  -31.0913
            11  C1a C    18.9851  -32.4921
            12  C1a C    18.9851  -26.8888
            13  O7a O    16.5337  -28.2896
            14  C7a C    15.3430  -28.9901
            15  C8y C    14.0122  -28.2896
            16  C1b C    23.8180  -31.0913
            17  C1b C    25.0087  -30.3909
            18  C1b C    26.1994  -31.0913
            19  C1c C    27.4601  -30.3909
            20  C1b C    28.6508  -31.0913
            21  C1b C    29.8415  -30.3909
            22  C1b C    31.1023  -31.0913
            23  C1c C    32.2930  -30.3909
            24  C1b C    33.4837  -31.0913
            25  C1b C    34.7444  -30.3909
            26  C1b C    35.9351  -31.0913
            27  C1c C    37.1258  -30.3909
            28  C1a C    38.3165  -31.0913
            29  C1a C    27.4601  -28.9901
            30  C1a C    32.2930  -28.9901
            31  C1a C    37.1258  -28.9901
            32  C8x C    12.8215  -28.9901
            33  C8x C    11.6308  -28.2896
            34  C8x C    11.6308  -26.8888
            35  N5x N    12.8215  -26.1884
            36  C8x C    14.0122  -26.8888
            37  C1a C    16.5337  -31.0913
            38  O6a O    15.3430  -30.3909
            39  C1a C    22.6273  -31.7909
BOND        41
            1     7   8 1
            2    18  19 1
            3     8   9 1
            4    19  20 1
            5     9  10 1
            6    20  21 1
            7    10   5 1
            8    21  22 1
            9    22  23 1
            10    4  11 1
            11   23  24 1
            12    1  37 1
            13   24  25 1
            14    1   2 2
            15   25  26 1
            16    3  12 1
            17   26  27 1
            18    2   3 1
            19   27  28 1
            20    2  13 1
            21   19  29 1 #Down
            22    3   6 2
            23   23  30 1 #Down
            24   13  14 1
            25   27  31 1
            26    5   4 2
            27   14  15 1
            28    4   1 1
            29    9  16 1 #Up
            30    5   6 1
            31   16  17 1
            32   15  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   36  15 1
            38    6   7 1
            39   17  18 1
            40   14  38 2
            41    9  39 1

» Japanese version

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