KEGG   DRUG: ThimerosalHelp
Entry
D00864                      Drug                                   

Name
Thimerosal (JAN/USP);
Thiomersal (INN);
Merthiolate (TN)
Formula
C9H9HgO2S. Na
Exact mass
405.9927
Mol weight
404.8113
Structure
Mol fileKCF fileDB search
Remark
ATC code: D08AK06
Efficacy
Disinfectant (topical), Pharmaceutic aid (preservative)
Comment
Mercury compound
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AK Mercurial products
     D08AK06 Thiomersal
      D00864  Thimerosal (JAN/USP)
Pharmaceutical additives in Japan [BR:br08316]
 Antiseptic agent
  D00864  [001410] Thimerosal
 Preserving agent
  D00864  [001410] Thimerosal
BRITE hierarchy
Other DBs
CAS: 54-64-8
PubChem: 7847929
ChEBI: 9546
NIKKAJI: J1.370F
KCF data Show

ATOM        14
            1   C8y C    23.7417  -18.5732
            2   C8y C    22.5344  -17.8733
            3   C8x C    23.7417  -19.9731
            4   S2a S    24.9491  -17.8850
            5   C8x C    21.3153  -18.5732
            6   C6a C    22.5344  -16.4734
            7   C8x C    22.5344  -20.6789
            8   Z   Hg   26.1622  -18.5791
            9   C8x C    21.3153  -19.9731
            10  O6a O    21.3211  -15.7678
            11  O6a O    23.7534  -15.7678 #-
            12  C1b C    27.3755  -17.8909
            13  C1a C    28.5886  -18.5849
            14  Z   Na   25.6430  -15.7503 #+
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     6  10 2
            10    6  11 1
            11    8  12 1
            12   12  13 1
            13    7   9 1

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