KEGG   DRUG: Pantethine
Entry
D01234                      Drug                                   

Name
Pantethine (JP17);
Pantosin (TN)
Formula
C22H42N4O8S2
Exact mass
554.2444
Mol weight
554.7209
Structure
Simcomp
Remark
Same as: C12661
Therapeutic category: 3133
ATC code: A11HA32
Product: D01234<JP>
Efficacy
Supplement (pantothenic acid)
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
     A11HA32 Pantethine
      D01234  Pantethine (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3133  Pantothenic acids
     D01234  Pantethine (JP17)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for circulatory system and blood
  23 Arteriosclerosis drugs (incl. linoleate and lecithin based drugs)
   D01234  Pantethine (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Pantethine
    D01234  Pantethine (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01234  Pantethine
Other DBs
CAS: 16816-67-4
PubChem: 7848297
ChEBI: 31959
ChEMBL: CHEMBL3184321
LigandBox: D01234
NIKKAJI: J9.880I J9.893K
LinkDB
KCF data

ATOM        36
            1   C1b C    11.0019  -19.7612
            2   C1d C    12.2104  -20.4538
            3   C1c C    13.4190  -19.7541
            4   C5a C    14.6275  -20.4467
            5   N1b N    15.8361  -19.7470
            6   C1b C    17.0446  -20.4397
            7   C1b C    18.2531  -19.7400
            8   C5a C    19.4617  -20.4326
            9   N1b N    20.6702  -19.7329
            10  C1b C    21.8787  -20.4255
            11  C1b C    23.0873  -19.7258
            12  O1a O    10.9948  -18.3619
            13  O1a O    13.4119  -18.3548
            14  C1a C    10.9948  -21.1464
            15  C1a C    13.2790  -21.1535
            16  O5a O    14.6204  -21.8460
            17  O5a O    19.4545  -21.8320
            18  S3a S    24.3000  -20.4241
            19  S3a S    25.6952  -20.4185
            20  C1b C    27.0521  -19.7612
            21  C1b C    28.2606  -20.4609
            22  N1b N    29.4692  -19.7612
            23  C5a C    30.6777  -20.4609
            24  C1b C    31.8863  -19.7612
            25  C1b C    33.0948  -20.4609
            26  N1b N    34.3033  -19.7612
            27  C5a C    35.5119  -20.4609
            28  C1c C    36.7204  -19.7612
            29  C1d C    37.9289  -20.4609
            30  C1b C    39.1375  -19.7612
            31  O5a O    30.6706  -21.8603
            32  O5a O    35.5047  -21.8603
            33  O1a O    36.7833  -18.3619
            34  O1a O    39.1303  -18.3619
            35  C1a C    36.7133  -21.1535
            36  C1a C    39.1375  -21.1606
BOND        35
            1     4   5 1
            2    18  19 1
            3     9  10 1
            4     2   3 1
            5    20  21 1
            6    10  11 1
            7    21  22 1
            8     5   6 1
            9    22  23 1
            10    1  12 1
            11   23  24 1
            12    1   2 1
            13   24  25 1
            14    3  13 1
            15   25  26 1
            16    6   7 1
            17   26  27 1
            18    2  14 1
            19   27  28 1
            20    3   4 1
            21   28  29 1
            22    2  15 1
            23   29  30 1
            24    7   8 1
            25   23  31 2
            26    4  16 2
            27   27  32 2
            28   28  33 1
            29    8  17 2
            30   30  34 1
            31    8   9 1
            32   29  35 1
            33   11  18 1
            34   29  36 1
            35   19  20 1

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