KEGG   DRUG: Idroxioleate sodium
Entry
D12995                      Drug                                   
Name
Idroxioleate sodium (USAN)
Formula
C18H33O3. Na
Exact mass
320.2327
Mol weight
320.44
Structure
Remark
ATC code: L01XX85
Chemical structure group: DG03326
Efficacy
Antineoplastic, Cell membrane modifier
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX85 Idroxioleic acid
      D12995  Idroxioleate sodium (USAN)
Other DBs
CAS: 1229114-68-4
PubChem: 504099511
LinkDB
KCF data

ATOM        22
            1   C1b C    16.1460  -15.5771
            2   C1b C    17.2837  -16.2882
            3   C1b C    14.9372  -16.2882
            4   C2b C    18.5637  -15.5771
            5   C1b C    13.7283  -15.5771
            6   C2b C    19.9858  -15.5771
            7   C1b C    12.5195  -16.2882
            8   C1b C    21.1236  -16.2882
            9   C1b C    11.3106  -15.5771
            10  C1b C    22.3324  -15.5771
            11  C1c C    10.1729  -16.2882
            12  C1b C    23.5412  -16.2882
            13  C6a C     8.8930  -15.5771
            14  C1b C    24.7501  -15.5771
            15  O6a O     7.7552  -16.2882 #-
            16  O6a O     8.8930  -14.1550
            17  C1b C    25.9589  -16.2882
            18  C1b C    27.0967  -15.5771
            19  C1b C    28.3766  -16.2882
            20  C1a C    29.5143  -15.5771
            21  O1a O    10.1729  -17.7815
            22  Z   Na    5.6700  -16.3800 #+
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   11  21 1

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