KEGG   DRUG: Thiamine hydrochlorideHelp
Entry
D02094                      Drug                                   

Name
Thiamine hydrochloride (USP);
Thiamine chloride hydrochloride (JP17);
Thiamine HCL (TN)
Product
  Generic
Formula
C12H17N4OS. HCl. Cl
Exact mass
336.0578
Mol weight
337.2685
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 3121
ATC code: A11DA01
Chemical structure group: DG00125
Product (DG00125): D02094<JP/US>
Product (mixture): D04913<JP> D07851<JP> D04899<JP>
Efficacy
Supplement (vitamin B1)
  Disease
Beriberi [DS:H01566]
Wernicke's encephalopathy [DS:H01565]
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)
      D02094  Thiamine hydrochloride (USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   312  Vitamin B1 preparations
    3121  Vitamin B1 preparations
     D02094  Thiamine hydrochloride (USP); Thiamine chloride hydrochloride (JP17)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  43 Vitamin containing supplements
   D02094  Thiamine hydrochloride (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02094  Thiamine chloride hydrochloride
  D02094  Thiamine chloride hydrochloride powder
  D02094  Thiamine chloride hydrochloride injection
BRITE hierarchy
Other DBs
CAS: 67-03-8
PubChem: 7849155
ChEBI: 49105
ChEMBL: CHEMBL1200941
LigandBox: D02094
NIKKAJI: J237.156A
LinkDB All DBs
KCF data Show

ATOM        20
            1   N5y N    31.7336  -16.8635 #+
            2   C8y C    32.8573  -17.6996
            3   C1b C    30.5194  -16.1688
            4   C8x C    32.1814  -15.5345
            5   C8y C    33.9925  -16.8901
            6   C1a C    32.8441  -19.0951
            7   C8y C    29.3109  -16.8752
            8   S2x S    33.5775  -15.5535
            9   C1b C    35.2206  -17.5451
            10  C8y C    29.3109  -18.2763
            11  C8x C    28.0850  -16.1746
            12  C1b C    36.4083  -16.8146
            13  N5x N    28.0850  -18.9945
            14  N1a N    30.5194  -18.9828
            15  N5x N    26.8822  -16.8752
            16  O1a O    37.6394  -17.4746
            17  C8y C    26.8822  -18.2763
            18  C1a C    25.6738  -18.9769
            19  X   Cl   31.4766  -14.5833 #-
            20  X   Cl   36.4932  -20.3233
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 2
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   13  17 2
            17   17  18 1
            18    5   8 1
            19   15  17 1

» Japanese version   » Back

DBGET integrated database retrieval system