Mrv0541 05221415452D          

 19 20  0  0  0  0            999 V2000
    8.7260   -9.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -9.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114   -8.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114  -10.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2970   -9.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2970   -9.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4404   -8.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4404   -7.8325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1549   -9.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1549   -7.4200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694   -8.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694   -7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5839   -7.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114  -11.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825  -10.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969  -11.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8680   -9.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1535  -10.3075    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8680   -9.0700    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
  1  7  1  0  0  0  0
 12 13  2  0  0  0  0
  4 14  1  0  0  0  0
  6 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <ID>
CHEBI:46548

> <NAME>
zardaverine

> <DEFINITION>
A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group.  It is a phosphodiesterase inhibitor, selective for PDE3 and 4.

> <STAR>
3

> <SYNONYM>
6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE; 6-(4-(Difluoromethoxy)-3-methoxyphenyl)-3(2H)-pyridazinone

> <IUPAC_NAME>
6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3(2H)-one

> <INN>
zardaverinum; zardaverine; zardaverina

> <FORMULA>
C12H10F2N2O3

> <MASS>
268.21620

> <MONOISOTOPIC_MASS>
268.06595

> <CHARGE>
0

> <SMILES>
COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1

> <INCHI>
InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)

> <INCHIKEY>
HJMQDJPMQIHLPB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
101975-10-4

> <CHEMIDPLUS>
101975-10-4

> <LINCS_ACCESSION>
LSM-2833

> <PDBECHEM_ACCESSION>
ZAR

> <PUBMED_CITATION>
12387865; 12952271; 1426207; 1648920; 1665311; 1700309; 1723951; 1787170; 7644776; 7684572; 7925141; 8035322; 8369979; 8381357; 8392340

$$$$