KEGG   DRUG: Levothyroxine sodium
Entry
D11113                      Drug                                   
Name
Levothyroxine sodium (INN);
Levothyroxine sodium anhydrous
Product
  Generic
Formula
C15H10I4NO4. Na
Exact mass
798.6686
Mol weight
798.8518
Structure
Simcomp
Class
Hormonal agent
 DG01953  Thyroid preparation
  DG01608  Thyroid hormone replenisher
Remark
Same as: C08212
ATC code: H03AA01
Chemical structure group: DG00510
Product (DG00510): D01010<JP/US> D11113<US>
Efficacy
Replenisher (thyroid hormone)
Comment
Treatment of myxedema coma
Target
NR1A (THR) [HSA:7067 7068] [KO:K05547 K08362]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04919  Thyroid hormone signaling pathway
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H03 THYROID THERAPY
   H03A THYROID PREPARATIONS
    H03AA Thyroid hormones
     H03AA01 Levothyroxine sodium
      D11113  Levothyroxine sodium (INN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Thyroid)
  Levothyroxine
   D11113  Levothyroxine sodium (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01953  Thyroid preparation
   DG01608  Thyroid hormone replenisher
    DG00510  Levothyroxine
     D11113  Levothyroxine sodium
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A (THR)
     D11113  Levothyroxine sodium (INN) <US>
Drug groups [BR:br08330]
 Hormonal agent
  DG01953  Thyroid preparation
   DG01608  Thyroid hormone replenisher
    DG00510  Levothyroxine
Other DBs
CAS: 55-03-8
PubChem: 376219037
LinkDB
KCF data

ATOM        25
            1   C8y C    23.1126  -16.8804
            2   O2a O    21.9219  -16.1800
            3   C8x C    23.1126  -18.2813
            4   C8x C    24.3734  -16.1800
            5   C8y C    20.7311  -15.4795
            6   C8y C    24.3734  -18.9817
            7   C8y C    25.5641  -16.8804
            8   C8y C    19.5404  -16.1800
            9   C8y C    20.7311  -14.0787
            10  C8y C    25.5641  -18.2813
            11  X   I    24.3734  -20.3826
            12  X   I    26.7548  -16.1099
            13  C8x C    18.2796  -15.4795
            14  X   I    19.5404  -17.5808
            15  C8x C    19.5404  -13.3782
            16  X   I    21.9219  -13.3782
            17  O1a O    26.8249  -18.9116
            18  C8y C    18.2796  -14.0787
            19  C1b C    17.0889  -13.3782
            20  C1c C    15.8982  -14.0787
            21  C6a C    14.7074  -13.3782
            22  N1a N    15.8982  -15.4795
            23  O6a O    14.7074  -11.9774
            24  O6a O    13.5167  -14.0787 #-
            25  Z   Na   10.4348  -14.1487 #+
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 2
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    8  14 1
            14    9  15 1
            15    9  16 1
            16   10  17 1
            17   13  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1 #Down
            22   21  23 2
            23   21  24 1
            24    7  10 1
            25   15  18 2

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