KEGG   DRUG: Diisopropylamine dichloroacetate
Entry
D01816                      Drug                                   
Name
Diisopropylamine dichloroacetate (JAN);
Liverall (TN)
Formula
C2H2Cl2O2. C6H15N
Exact mass
229.0636
Mol weight
230.1321
Structure
Remark
Therapeutic category: 3919
Chemical structure group: DG02939
Product (DG02939): D01816<JP>
Efficacy
Liver function improving agent
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   391  Liver disease agents
    3919  Others
     D01816  Diisopropylamine dichloroacetate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Diisopropylamine dichloroacetate
    D01816  Diisopropylamine dichloroacetate (JAN)
Other DBs
CAS: 660-27-5
PubChem: 7848878
ChEBI: 31492
LigandBox: D01816
NIKKAJI: J422.637B
KCF data

ATOM        13
            1   C1a C    16.3839  -16.5911
            2   C1c C    17.5946  -17.2920
            3   N1b N    18.8054  -16.5911
            4   C1c C    20.0162  -17.2920
            5   C1a C    21.2270  -16.5911
            6   C1a C    20.0162  -18.6941
            7   C1a C    17.5946  -18.6941
            8   O6a O    24.4479  -17.3675
            9   C6a C    25.6591  -16.6663
            10  C1c C    26.8703  -17.3604
            11  X   Cl   28.0815  -16.6592
            12  O6a O    25.6560  -15.2639
            13  X   Cl   26.8734  -18.7629
BOND        11
            1     2   3 1
            2     2   7 1
            3     3   4 1
            4     1   2 1
            5     4   5 1
            6     4   6 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10    9  12 2
            11   10  13 1

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