KEGG   DRUG: Laquinimod sodium
Entry
D08938                      Drug                                   
Name
Laquinimod sodium (USAN)
Formula
C19H16ClN2O3. Na
Exact mass
378.0747
Mol weight
378.78
Structure
Simcomp
Remark
ATC code: N07XX10
Efficacy
Immunomodulator
Comment
Treatment of multiple sclerosis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07X OTHER NERVOUS SYSTEM DRUGS
    N07XX Other nervous system drugs
     N07XX10 Laquinimod
      D08938  Laquinimod sodium (USAN)
Other DBs
CAS: 248282-07-7
PubChem: 96025621
LigandBox: D08938
LinkDB
KCF data

ATOM        26
            1   C8x C    21.2244  -14.2197
            2   C8x C    21.2244  -15.6206
            3   C8y C    22.4152  -16.3211
            4   C8y C    23.6761  -15.6206
            5   C8y C    23.6761  -14.2197
            6   C8x C    22.4152  -13.5192
            7   C8y C    24.8669  -16.3211
            8   C8y C    26.0577  -15.6206
            9   C8y C    26.0577  -14.2197
            10  N4y N    24.8669  -13.5192
            11  C5a C    27.2485  -16.3211
            12  N1c N    28.5094  -15.6206
            13  C8y C    29.7002  -16.3211
            14  C8x C    29.7002  -17.7220
            15  C8x C    30.8910  -18.4225
            16  C8x C    32.1518  -17.7220
            17  C8x C    32.1518  -16.3211
            18  C8x C    30.8910  -15.6206
            19  C1a C    24.8669  -12.1182
            20  O5x O    27.2485  -13.5192
            21  O5a O    27.2485  -17.7220
            22  O1a O    24.8669  -17.7220 #-
            23  X   Cl   22.4152  -17.7220
            24  C1b C    28.5094  -14.2197
            25  C1a C    29.7002  -13.5192
            26  Z   Na   25.0770  -19.9636 #+
BOND        27
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   10  19 1
            22    9  20 2
            23   11  21 2
            24    7  22 1
            25    3  23 1
            26   12  24 1
            27   24  25 1

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