KEGG   DRUG: Thiamine mononitrate
Entry
D03277                      Drug                                   
Name
Thiamine mononitrate (USP);
Thiamine nitrate (JP18);
Vitanon (TN)
Formula
C12H17N4OS. NO3
Exact mass
327.1001
Mol weight
327.3595
Structure
Simcomp
Remark
ATC code: A11DA01
Chemical structure group: DG00125
Product (DG00125): D02094<JP/US>
Product (mixture): D08830<JP>
Efficacy
Supplement (vitamin B1)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11D VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
    A11DA Vitamin B1, plain
     A11DA01 Thiamine (vit B1)
      D03277  Thiamine mononitrate (USP)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  35 Vitamin B1 based drugs
   D03277  Thiamine mononitrate (USP)
  42 Vitamin B1B6B12 based drugs
   D03277  Thiamine mononitrate (USP)
  43 Vitamin containing supplements
   D03277  Thiamine mononitrate (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Thiamine
    D03277  Thiamine mononitrate (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03277  Thiamine nitrate
Other DBs
CAS: 532-43-4
PubChem: 17397429
LigandBox: D03277
NIKKAJI: J429.180H
LinkDB
KCF data

ATOM        22
            1   N2b N    25.9319  -16.7829 #+
            2   O3a O    25.9319  -15.3843
            3   O3a O    24.5331  -17.6223 #-
            4   O3a O    27.2607  -17.6223 #-
            5   N5y N    16.2499  -15.7360 #+
            6   C8y C    17.3731  -16.5718
            7   C1b C    15.0362  -15.0417
            8   C8x C    16.6974  -14.4077
            9   C8y C    18.5077  -15.7626
            10  C1a C    17.3599  -17.9666
            11  C8y C    13.8283  -15.7477
            12  S2x S    18.0929  -14.4267
            13  C1b C    19.7352  -16.4173
            14  C8y C    13.8283  -17.1482
            15  C8x C    12.6031  -15.0475
            16  C1b C    20.9223  -15.6872
            17  N5x N    12.6031  -17.8660
            18  N1a N    15.0362  -17.8543
            19  N5x N    11.4008  -15.7477
            20  O1a O    22.1529  -16.3468
            21  C8y C    11.4008  -17.1482
            22  C1a C    10.1930  -17.8484
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     5   6 1
            5     5   7 1
            6     5   8 2
            7     6   9 2
            8     6  10 1
            9     7  11 1
            10    8  12 1
            11    9  13 1
            12   11  14 2
            13   11  15 1
            14   13  16 1
            15   14  17 1
            16   14  18 1
            17   15  19 2
            18   16  20 1
            19   17  21 2
            20   21  22 1
            21    9  12 1
            22   19  21 1

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