KEGG   DRUG: Optochin hydrochloride
Entry
D02433                      Drug                                   
Name
Optochin hydrochloride;
Ethylhydrocupreine hydrochloride
Formula
C21H28N2O2. HCl
Exact mass
376.1918
Mol weight
376.9202
Structure
Simcomp
Efficacy
Antibacterial
Structure map
map07016  Sulfonamide derivatives - sulfa drugs
Other DBs
CAS: 3413-58-9
PubChem: 7849491
LigandBox: D02433
NIKKAJI: J220.162C
LinkDB
KCF data

ATOM        26
            1   X   Cl   39.5757  -19.0940
            2   C8y C    28.2907  -20.1712
            3   C8x C    28.2907  -21.5723
            4   C8x C    29.5517  -22.2729
            5   C8x C    29.5517  -19.4706
            6   C8y C    30.7660  -20.1712
            7   C8y C    30.7660  -21.5723
            8   N5x N    31.9337  -22.2729
            9   C8x C    33.1947  -21.5723
            10  C8x C    33.1947  -20.1712
            11  C8y C    31.9804  -19.4706
            12  C1c C    31.9804  -18.0694
            13  C1y C    33.1947  -17.3689
            14  N1y N    34.6426  -16.5282
            15  C1x C    34.6426  -15.2671
            16  C1x C    36.1372  -17.3221
            17  C1y C    33.8953  -15.5006
            18  C1y C    33.8953  -14.5198
            19  C1x C    35.4366  -16.2012
            20  C1b C    33.3816  -13.2121
            21  C1x C    32.4942  -16.3413
            22  O1a O    30.7660  -17.3689
            23  C1a C    34.2223  -12.1379
            24  O2a O    27.0773  -19.4706
            25  C1b C    25.8638  -20.1712
            26  C1a C    24.6504  -19.4706
BOND        28
            1    11  12 1
            2     2   3 2
            3    13  14 1
            4    12  13 1
            5     3   4 1
            6     4   7 2
            7     6   5 2
            8     5   2 1
            9     6   7 1
            10    7   8 1
            11   14  15 1
            12   14  16 1
            13   21  17 1
            14   15  18 1
            15   16  19 1
            16   18  20 1 #Up
            17   17  18 1
            18   17  19 1
            19   13  21 1
            20    8   9 2
            21    9  10 1
            22   12  22 1 #Up
            23   10  11 2
            24   11   6 1
            25   20  23 1
            26    2  24 1
            27   24  25 1
            28   25  26 1

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