Marvin  07251109582D          

 13 13  0  0  0  0            999 V2000
   14.3063  -16.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3063  -17.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027  -16.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1545  -15.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027  -17.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1545  -18.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8508  -19.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8508  -18.3115    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6990  -17.6465    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.4581  -15.6515    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   15.4581  -14.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6099  -16.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7998  -16.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5  8  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
> <ID>
CHEBI:62629

> <NAME>
nitarsone

> <DEFINITION>
An organoarsonic acid where the organyl group is 4-nitrophenyl.

> <STAR>
3

> <SYNONYM>
p-nitrophenylarsonic acid; p-nitrobenzenearsonic acid; 4-O2C6H4AsO3H2; 4-nitrophenylarsonic acid; 4-nitrobenzenearsonic acid; (p-nitrophenyl)arsonic acid

> <IUPAC_NAME>
(4-nitrophenyl)arsonic acid

> <INN>
nitarsonum; nitarsone; nitarson

> <BRAND_NAME>
Histostat

> <FORMULA>
C6H6AsNO5

> <MASS>
247.03710

> <MONOISOTOPIC_MASS>
246.94619

> <CHARGE>
0

> <SMILES>
O[As](O)(=O)c1ccc(cc1)[N+]([O-])=O

> <INCHI>
InChI=1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)

> <INCHIKEY>
FUUFQLXAIUOWML-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
98-72-6

> <REAXYS_REGISTRY_NUMBER>
2939908

> <CHEMIDPLUS>
98-72-6

> <KEGG_DRUG_ACCESSION>
D05175

> <PUBMED_CITATION>
16550417; 21388897; 4674928

$$$$