Ketcher 04261611332D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
   21.9226  -21.8186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9229  -21.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6045  -22.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4074  -23.3519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2219  -22.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1696  -23.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6663  -21.1499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4081  -20.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2007  -19.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6507  -23.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9941  -18.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0433  -18.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2344  -18.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4257  -18.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7346  -17.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7343  -17.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4749  -18.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7320  -17.8486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2671  -19.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  5  6  2  0     0  0
  1  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  3 10  2  0     0  0
  9 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 12  2  0     0  0
 14 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
M  CHG  2  17   1  18  -1
M  END
> <ID>
CHEBI:131714

> <NAME>
furagin

> <DEFINITION>
An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [3-(5-nitro-2-furyl)prop-2-en-1-ylidene]amino group (the configuration of the C=C and C=N bonds in the grouping that links the two heterocycles is not specified). A nitrofuran antibiotic with properties similar to nitrofurantoin, furagin is used in the treatment of urinary tract infections.

> <STAR>
3

> <SYNONYM>
NF416; NF-416; NF 416; furazidine; furazidin; 1-((3-(5-nitro-2-furyl)allylidene)amino)-hydantoin

> <IUPAC_NAME>
1-{[3-(5-nitro-2-furyl)prop-2-en-1-ylidene]amino}imidazolidine-2,4-dione

> <BRAND_NAME>
Furagin; Akritoin

> <FORMULA>
C10H8N4O5

> <MASS>
264.195

> <MONOISOTOPIC_MASS>
264.04947

> <CHARGE>
0

> <SMILES>
N1(CC(NC1=O)=O)N=CC=CC=2OC(=CC2)[N+]([O-])=O

> <INCHI>
InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)

> <INCHIKEY>
DECBQELQORZLLP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1672-88-4

> <REAXYS_REGISTRY_NUMBER>
307076

> <CHEMIDPLUS>
1672-88-4

> <KEGG_DRUG_ACCESSION>
D07998

> <PUBMED_CITATION>
10809412; 18060746; 468451; 9172693; 9411425

$$$$