KEGG   COMPOUND: C08212
Entry
C08212                      Compound                               
Name
Levothyroxine sodium anhydrous
Formula
C15H10I4NO4. Na
Exact mass
798.6686
Mol weight
798.8518
Structure
Remark
Same as: D11113
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>
Other DBs
CAS: 55-03-8
PubChem: 10411
ChEBI: 6446
NIKKAJI: J61.561G
LinkDB
KCF data

ATOM        25
            1   C8y C    36.8202  -17.9165
            2   O2a O    35.6161  -17.2150
            3   C8x C    36.8259  -19.3077
            4   C8x C    38.0360  -17.1916
            5   C8y C    34.4235  -16.5135
            6   C8y C    38.0477  -19.9918
            7   C8y C    39.2520  -17.8756
            8   C8y C    33.2134  -17.2092
            9   C8y C    34.4235  -15.1048
            10  C8y C    39.2637  -19.2727
            11  X   I    38.0653  -21.3829
            12  X   I    40.4503  -17.1507
            13  C8x C    32.0093  -16.5194
            14  X   I    33.1494  -18.6239
            15  C8x C    33.2134  -14.3975
            16  X   I    35.6335  -14.3916
            17  O1a O    40.4854  -19.9507
            18  C8y C    32.0093  -15.1048
            19  C1b C    30.8110  -14.3916
            20  C1c C    29.6067  -15.0931
            21  C6a C    28.4142  -14.3858
            22  N1a N    29.6184  -16.5077
            23  O6a O    28.4200  -12.9712
            24  O6a O    27.2100  -15.0873 #-
            25  Z   Na   25.1317  -15.1076 #+
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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