Ketcher 07141602482D 1   1.00000     0.00000     0

 15 17  0     0  0            999 V2000
    0.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6832   -0.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829    1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  5  1  0     0  0
  3 11  1  0     0  0
  5  1  1  0     0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 11  2  0     0  0
M  END
> <ID>
CHEBI:5862

> <NAME>
idazoxan

> <DEFINITION>
A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group.

> <STAR>
3

> <SYNONYM>
Idazoxan; 4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1H-imidazole

> <IUPAC_NAME>
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole

> <INN>
idazoxanum; idazoxano; idazoxane; idazoxan

> <FORMULA>
C11H12N2O2; C11H12N2O2

> <MASS>
204.226

> <MONOISOTOPIC_MASS>
204.08988

> <CHARGE>
0

> <SMILES>
O1C2=C(OC(C=3NCCN3)C1)C=CC=C2

> <INCHI>
InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)

> <INCHIKEY>
HPMRFMKYPGXPEP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4187224

> <CAS_REGISTRY_NUMBER>
79944-58-4

> <CHEMIDPLUS>
79944-58-4

> <KEGG_COMPOUND_ACCESSION>
C10968

> <LINCS_ACCESSION>
LSM-4350

$$$$