KEGG   DRUG: Tiomolibdate choline
Entry
D11915                      Drug                                   
Name
Tiomolibdate choline (JAN/USAN)
Formula
MoS4. (C5H14NO)2
Exact mass
434.0088
Mol weight
432.56
Structure
Class
Vitamin and mineral
 DG01692  Chelator
Remark
ATC code: A16AX22
Chemical structure group: DG03249
Efficacy
Antidote (copper)
Comment
Copper-protein binding agent for the treatment of Wilson disease
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
   A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
    A16AX Various alimentary tract and metabolism products
     A16AX22 Tiomolibdic acid
      D11915  Tiomolibdate choline (JAN/USAN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG03249  Thiomolibdic acid
    D11915  Tiomolibdate choline
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG03249  Thiomolibdic acid
Other DBs
CAS: 649749-10-0
PubChem: 497620328
LinkDB
KCF data

ATOM        19
            1   Z   Mo   18.4800  -16.1700 #2-
            2   S0  S    18.4800  -14.9100
            3   S0  S    18.4800  -17.5000
            4   S0  S    20.5800  -16.1700
            5   S0  S    17.1500  -16.1700
            6   N1d N    25.3400  -15.6800 #+
            7   C1b C    26.5524  -16.3800
            8   C1a C    24.1276  -16.3800
            9   C1b C    27.7479  -15.6896
            10  O1a O    28.9353  -16.3751
            11  C1a C    25.3400  -17.0800
            12  C1a C    25.3400  -14.2800
            13  N1d N    25.3400  -15.6800 #+
            14  C1b C    26.5524  -16.3800
            15  C1b C    27.7479  -15.6896
            16  O1a O    28.9353  -16.3751
            17  C1a C    24.1276  -16.3800
            18  C1a C    25.3400  -17.0800
            19  C1a C    25.3400  -14.2800
BOND        16
            1     1   2 2
            2     1   3 2
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     6   8 1
            7     7   9 1
            8     9  10 1
            9     6  11 1
            10    6  12 1
            11   13  14 1
            12   13  17 1
            13   14  15 1
            14   15  16 1
            15   13  18 1
            16   13  19 1
BRACKET     1    22.2600  -18.7600   22.2600  -13.3700
            1    30.2400  -13.3700   30.2400  -18.7600
            1  2
 ORIGINAL  1    6   7   9  10   8  11  12
 REPEAT    1   13  14  15  16  17  18  19

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