KEGG   DRUG: NiridazoleHelp
Entry
D05170                      Drug                                   

Name
Niridazole (USAN/INN)
Formula
C6H6N4O3S
Exact mass
214.0161
Mol weight
214.2018
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C19268
ATC code: P02BX02
Efficacy
Antischistosomal
Comment
Nitrothiazole derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P02 ANTHELMINTICS
   P02B ANTITREMATODALS
    P02BX Other antitrematodal agents
     P02BX02 Niridazole
      D05170  Niridazole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 61-57-4
PubChem: 47206894
ChEBI: 82349
ChEMBL: CHEMBL152632
LigandBox: D05170
NIKKAJI: J2.343D
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8y C    25.4282  -10.1590
            2   N1y N    26.6188   -9.4587
            3   S2x S    24.3077   -9.3186
            4   C8y C    23.1871  -10.1590
            5   C8x C    23.6773  -11.4896
            6   N5x N    25.0080  -11.4896
            7   N2b N    21.9966   -9.4587 #+
            8   O3a O    20.6659  -10.2992 #-
            9   O3a O    21.9966   -8.1281
            10  C1x C    28.0188   -9.4511
            11  C1x C    28.4443   -8.1174
            12  N1x N    27.3073   -7.3005
            13  C5x C    26.1791   -8.1295
            14  O5x O    24.8308   -7.7013
BOND        15
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     7   9 2
            10    2  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    2  13 1
            15   13  14 2

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