KEGG   DRUG: Hydroquinine
Entry
D08267                      Drug                                   
Name
Hydroquinine;
Dihydroquinine;
Neostrata (TN)
Formula
C20H26N2O2
Exact mass
326.1994
Mol weight
326.43
Structure
Simcomp
Remark
ATC code: M09AA01
Chemical structure group: DG00788
Efficacy
Antimalarial, Demelanizing, Muscle relaxant
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M09 OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
   M09A OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
    M09AA Quinine and derivatives
     M09AA01 Hydroquinine
      D08267  Hydroquinine
Other DBs
CAS: 522-66-7
PubChem: 96024954
PDB-CCD: 0BR[PDBj]
LigandBox: D08267
NIKKAJI: J6.625G
LinkDB
KCF data

ATOM        24
            1   C8y C    20.8600  -20.8600
            2   C8x C    20.8600  -22.2600
            3   C8x C    22.0500  -22.9600
            4   C8x C    22.0500  -20.1600
            5   C8y C    23.3100  -20.8600
            6   C8y C    23.3100  -22.2600
            7   N5x N    24.5000  -22.9600
            8   C8x C    25.6900  -22.3300
            9   C8x C    25.6900  -20.8600
            10  C8y C    24.5000  -20.1600
            11  C1c C    24.5000  -18.7600
            12  C1y C    25.6900  -18.0600
            13  O2a O    19.6700  -20.1600
            14  N1y N    27.1600  -17.2200
            15  C1x C    27.1600  -15.9600
            16  C1x C    28.7000  -18.0600
            17  C1y C    26.3900  -16.2400
            18  C1y C    26.4600  -15.2600
            19  C1x C    28.0000  -16.9400
            20  C1b C    25.9000  -13.9300
            21  C1x C    24.9900  -17.0800
            22  C1a C    26.7400  -12.8800
            23  C1a C    19.6700  -18.7600
            24  O1a O    23.2847  -18.0649
BOND        27
            1     9  10 2
            2    10   5 1
            3    10  11 1
            4     1   2 1
            5    12  14 1
            6    11  12 1
            7     2   3 2
            8     3   6 1
            9     5   4 1
            10    4   1 2
            11    5   6 2
            12    6   7 1
            13   14  15 1
            14   14  16 1
            15   21  17 1
            16   15  18 1
            17   16  19 1
            18   18  20 1 #Up
            19   17  18 1
            20   17  19 1
            21    1  13 1
            22   12  21 1
            23    7   8 2
            24   20  22 1
            25   13  23 1
            26    8   9 1
            27   11  24 1 #Up

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