Marvin  11060622172D          

 21 22  0  0  0  0            999 V2000
    0.7589    2.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4733    1.6141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4733    0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589    0.3766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701    0.3766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -0.4484    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4951   -0.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549   -0.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -1.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444   -1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444   -2.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -2.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -3.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3846   -2.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3846   -1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589    2.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4734    3.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878    0.3766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3 20  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <ID>
CHEBI:32161

> <NAME>
sulfadimethoxine

> <DEFINITION>
A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.

> <STAR>
3

> <SYNONYM>
Sulphadimethoxine; Sulfadimethoxydiazine; Sulfadimethoxine; N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide; Agribon (TN); Abcid (TN); 6-sulfanilamido-2,4-dimethoxypyrimidine; 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide; 2,6-dimethoxy-4-sulfanilamidopyrimidine; 2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine; 2,4-dimethoxy-6-sulfanilamido-1,3-diazine

> <IUPAC_NAME>
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

> <INN>
sulfadimetoxina; sulfadimethoxinum

> <FORMULA>
C12H14N4O4S

> <MASS>
310.33012

> <MONOISOTOPIC_MASS>
310.07358

> <CHARGE>
0

> <SMILES>
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1

> <INCHI>
InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

> <INCHIKEY>
ZZORFUFYDOWNEF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
306856

> <CAS_REGISTRY_NUMBER>
122-11-2

> <GMELIN_REGISTRY_NUMBER>
677830

> <REAXYS_REGISTRY_NUMBER>
306856

> <CHEMIDPLUS>
122-11-2

> <DRUGBANK_ACCESSION>
DB06150

> <KEGG_DRUG_ACCESSION>
D01142

> <LINCS_ACCESSION>
LSM-5790

> <WIKIPEDIA_ACCESSION>
Sulfadimethoxine

> <PUBMED_CITATION>
11431418; 12038137; 13831481; 13840927; 14435331; 14437387; 16001847; 16390193; 18574183; 19927815

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