KEGG   DRUG: MisonidazoleHelp
Entry
D05052                      Drug                                   

Name
Misonidazole (USAN/INN)
Formula
C7H11N3O4
Exact mass
201.075
Mol weight
201.1799
Structure
Mol fileKCF fileDB search
Class
Antiparasitic
 DG01884  Imidazole antiprotozoal
Efficacy
Antiprotozoal (trichomonas)
Comment
Nitroimidazole derivative
Other DBs
CAS: 13551-87-6
PubChem: 47206779
ChEMBL: CHEMBL42161
LigandBox: D05052
NIKKAJI: J2.739A
LinkDB All DBs
KCF data Show

ATOM        14
            1   N5x N    12.7400  -23.3800
            2   C8x C    13.1600  -24.7100
            3   C8x C    14.5600  -24.7100
            4   N4y N    14.9800  -23.3800
            5   C8y C    13.8600  -22.5400
            6   N2b N    13.8600  -21.1400 #+
            7   O3a O    15.2600  -20.2300 #-
            8   O3a O    12.5300  -20.3000
            9   C1b C    16.1700  -22.6800
            10  C1c C    17.3600  -23.3800
            11  C1b C    18.5500  -22.6800
            12  O1a O    17.3600  -24.7800
            13  O2a O    19.7400  -23.3800
            14  C1a C    20.9300  -22.6800
BOND        14
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     5   6 1
            7     6   7 1
            8     6   8 2
            9     9  10 1
            10    9   4 1
            11   10  11 1
            12   10  12 1
            13   11  13 1
            14   13  14 1

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