Mrv0541 01141411152D          

 22 24  0  0  0  0            999 V2000
   10.7153  -12.2383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8628  -12.9115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0106  -12.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5593  -12.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1539  -12.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0188  -10.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5514  -14.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119  -12.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559  -12.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3953  -14.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2478  -14.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0921  -14.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0580  -11.0821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3880  -11.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3112  -12.2701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5228  -12.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4587  -10.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6577   -9.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8692  -10.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7217  -11.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4190  -11.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7614  -10.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
 10  7  1  0  0  0  0
  9  8  2  0  0  0  0
 11  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
  5 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 21  1  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:31654

> <NAME>
gliclazide

> <STAR>
3

> <SYNONYM>
Glimicron; Gliclazide; 1-(hexahydrocyclopenta(c)pyrrol-2(1H)-yl)-3-(p-tolylsulfonyl)urea; 1-(3-azabicyclo(3.3.0)oct-3-yl)-3-(p-tolylsulfonyl)urea

> <IUPAC_NAME>
N-(hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl)-4-methylbenzenesulfonamide

> <FORMULA>
C15H21N3O3S

> <MASS>
323.41100

> <MONOISOTOPIC_MASS>
323.13036

> <CHARGE>
0

> <SMILES>
Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1

> <INCHI>
InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)

> <INCHIKEY>
BOVGTQGAOIONJV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1657836

> <CAS_REGISTRY_NUMBER>
21187-98-4

> <REAXYS_REGISTRY_NUMBER>
1657836

> <CHEMIDPLUS>
21187-98-4

> <DRUGBANK_ACCESSION>
DB01120

> <KEGG_DRUG_ACCESSION>
D01599

> <LINCS_ACCESSION>
LSM-5096

> <WIKIPEDIA_ACCESSION>
Gliclazide

> <PUBMED_CITATION>
10048179; 14871415; 16631804; 22118706; 22183301; 22411174; 22732450; 9226746

$$$$