KEGG   DRUG: Cetaben sodium
Entry
D03447                      Drug                                   
Name
Cetaben sodium (USAN)
Formula
C23H38NO2. Na
Exact mass
383.2800
Mol weight
383.54
Structure
Efficacy
Antidyslipidemia (hyperlipoproteinemic), Cholesterol acyltransferase (ACAT) inhibitor
Target
SOAT [HSA:6646 8435] [KO:K00637]
  Pathway
hsa00100  Steroid biosynthesis
hsa04979  Cholesterol metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Acyltransferases
    SOAT
     D03447  Cetaben sodium (USAN)
Other DBs
CAS: 64059-66-1
PubChem: 17397587
LigandBox: D03447
NIKKAJI: J19.291K
LinkDB
KCF data

ATOM        27
            1   C8y C    35.8974  -15.9898
            2   C8x C    35.8974  -14.5874
            3   C8x C    34.7053  -13.8862
            4   C8y C    33.4431  -14.5874
            5   C8x C    33.4431  -15.9898
            6   C8x C    34.7053  -16.6910
            7   C6a C    37.0895  -16.6910
            8   O6a O    38.2816  -15.9898 #-
            9   O6a O    37.0895  -18.0935
            10  N1b N    32.2510  -13.8862
            11  C1b C    31.0590  -14.5874
            12  C1b C    29.8387  -13.8961
            13  C1b C    28.6524  -14.5874
            14  C1a C    27.4377  -13.8862
            15  Z   Na   39.9730  -16.0313 #+
            16  C1b C    31.0590  -14.5874
            17  C1b C    29.8387  -13.8961
            18  C1b C    31.0590  -14.5874
            19  C1b C    29.8387  -13.8961
            20  C1b C    31.0590  -14.5874
            21  C1b C    29.8387  -13.8961
            22  C1b C    31.0590  -14.5874
            23  C1b C    29.8387  -13.8961
            24  C1b C    31.0590  -14.5874
            25  C1b C    29.8387  -13.8961
            26  C1b C    31.0590  -14.5874
            27  C1b C    29.8387  -13.8961
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     7   9 2
            10    4  10 1
            11   13  14 1
            12   10  11 1
            13   11  12 1
            14   12  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  13 1
BRACKET     1    29.5400  -15.5400   29.5400  -13.3700
            1    31.2200  -13.3700   31.2200  -15.5400
            1  7
 ORIGINAL  1   11  12
 REPEAT    1   16  17  18  19  20  21  22  23  24  25  26  27

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