KEGG   COMPOUND: C06835
Entry
C06835                      Compound                               
Name
Atovaquone;
Acuvel;
Wellvone;
Mepron
Formula
C22H19ClO3
Exact mass
366.1023
Mol weight
366.8375
Structure
Remark
Same as: D00236
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AX Other agents against amoebiasis and other protozoal diseases
     P01AX06 Atovaquone
      D00236  Atovaquone (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Atovaquone
    D00236  Atovaquone (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00236  Atovaquone (JAN/USP/INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Agents against Amebiasis and other antiprotozoals
   Others
    D00236  Atovaquone (JAN/USP/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00236
Other DBs
CAS: 95233-18-4
PubChem: 9053
PDB-CCD: AOQ[PDBj]
NIKKAJI: J389.528I
LinkDB
KCF data

ATOM        26
            1   C2y C    29.4956  -24.2857
            2   C1y C    30.7010  -24.9904
            3   C5x C    28.2785  -24.9845
            4   C2y C    29.5013  -22.8823
            5   C1x C    30.7010  -26.3938
            6   C1x C    31.9181  -24.2857
            7   C8y C    27.0673  -24.2741
            8   O5x O    28.2726  -26.3821
            9   C5x C    28.2902  -22.1835
            10  O1a O    30.7127  -22.1893
            11  C1x C    31.9181  -27.0867
            12  C1x C    33.1236  -24.9904
            13  C8y C    27.0731  -22.8707
            14  C8x C    25.8676  -24.9788
            15  O5x O    28.2959  -20.7802
            16  C1y C    33.1236  -26.3938
            17  C8x C    25.8676  -22.1776
            18  C8x C    24.6505  -24.2741
            19  C8y C    34.3407  -27.0867
            20  C8x C    24.6505  -22.8707
            21  C8x C    34.3407  -28.4902
            22  C8x C    35.5576  -26.3938
            23  C8x C    35.5576  -29.1948
            24  C8x C    36.7630  -27.0867
            25  C8y C    36.7630  -28.4902
            26  X   Cl   37.9800  -29.1890
BOND        29
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    9  15 2
            15   11  16 1
            16   13  17 2
            17   14  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25   25  26 1
            26    9  13 1
            27   12  16 1
            28   18  20 2
            29   24  25 1

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