Marvin  07140813542D          

 14 15  0  0  0  0            999 V2000
   -2.0313    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313   -1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4602    0.3563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -0.0562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6023   -1.2938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266   -1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1857    0.9396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6023    0.3563    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0190    0.9396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  4  2  0  0  0  0
  6  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
 13  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
 13  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
> <ID>
CHEBI:4495

> <NAME>
diazoxide

> <DEFINITION>
A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the β- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6046

> <SYNONYM>
Diazoxide; Diazossido

> <IUPAC_NAME>
7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide

> <INN>
diazoxidum; diazoxido; diazoxide

> <BRAND_NAME>
Eudemine

> <FORMULA>
C8H7ClN2O2S

> <MASS>
230.67100

> <MONOISOTOPIC_MASS>
229.99168

> <CHARGE>
0

> <SMILES>
CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1

> <INCHI>
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)

> <INCHIKEY>
GDLBFKVLRPITMI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
523907

> <CAS_REGISTRY_NUMBER>
364-98-7

> <REAXYS_REGISTRY_NUMBER>
523907

> <CHEMIDPLUS>
364-98-7

> <DRUGBANK_ACCESSION>
DB01119

> <KEGG_COMPOUND_ACCESSION>
C06949

> <KEGG_DRUG_ACCESSION>
D00294

> <LINCS_ACCESSION>
LSM-3639

> <WIKIPEDIA_ACCESSION>
Diazoxide

> <PUBMED_CITATION>
11014217; 12039709; 15319354; 16740260; 16777075; 18191077; 20828743; 20950601; 21538163; 21693179; 22047130; 29438107

$$$$