Marvin  06201314162D          

 17 18  0  0  0  0            999 V2000
   13.6199   -5.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6199   -6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9038   -6.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1918   -6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1918   -5.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9038   -5.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4770   -5.1093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629   -5.5222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0480   -5.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360   -5.5235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6213   -5.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6206   -4.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3348   -3.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0496   -4.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3343   -6.7591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8895   -4.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645   -4.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  8  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  1  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
 17  7  2  0  0  0  0
  7 16  2  0  0  0  0
M  END
> <ID>
CHEBI:9328

> <NAME>
sulfadiazine

> <DEFINITION>
A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.

> <STAR>
3

> <SYNONYM>
sulphadiazine; sulfapyrimidine; Sulfadiazine; sulfadiazin; N(1)-2-pyrimidylsulfanilamide; N(1)-2-pyrimidinylsulfanilamide; 4-amino-N-2-pyrimidinylbenzenesulfonamide; 2-sulfanilylaminopyrimidine; 2-sulfanilamidopyrimidine

> <IUPAC_NAME>
4-amino-N-(pyrimidin-2-yl)benzenesulfonamide

> <INN>
sulfadiazinum; sulfadiazine; sulfadiazine; sulfadiazina

> <FORMULA>
C10H10N4O2S

> <MASS>
250.27700

> <MONOISOTOPIC_MASS>
250.05245

> <CHARGE>
0

> <SMILES>
Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

> <INCHI>
InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)

> <INCHIKEY>
SEEPANYCNGTZFQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
235192

> <CAS_REGISTRY_NUMBER>
68-35-9

> <GMELIN_REGISTRY_NUMBER>
219136

> <REAXYS_REGISTRY_NUMBER>
235192

> <CHEMIDPLUS>
68-35-9

> <DRUGBANK_ACCESSION>
DB00359

> <KEGG_COMPOUND_ACCESSION>
C07658

> <KEGG_DRUG_ACCESSION>
D00587

> <LINCS_ACCESSION>
LSM-5457

> <NIST_CHEMISTRY_WEBBOOK>
68-35-9

> <WIKIPEDIA_ACCESSION>
Sulfadiazine

> <PUBMED_CITATION>
11431418; 12811231; 13037579; 15907564; 18706672; 20244050; 23206954; 23245764; 23270807; 23322489; 23396336; 23411088; 23411170; 23704574; 23707894; 7378112; 8429812

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