Mrv0541 02031411562D          

 33 35  0  0  0  0            999 V2000
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   14.8851   -5.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1731   -5.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5907   -4.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640   -5.4415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1681   -4.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8728   -3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3023   -3.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2961   -2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8666   -2.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5784   -2.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5723   -1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7382   -4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7101   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4258   -1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7092    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7118   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8538   -0.4852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1380    0.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9969   -1.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9942    1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7127   -2.5499    0.0000 Cl  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
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  5 15  1  0  0  0  0
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 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 12 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 21  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <ID>
CHEBI:5441

> <NAME>
glyburide

> <DEFINITION>
An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.

> <STAR>
3

> <SYNONYM>
Glyburide; 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide; 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea; 1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea

> <IUPAC_NAME>
5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide

> <INN>
glibenclamidum; glibenclamide; glibenclamide; glibenclamida

> <BRAND_NAME>
Micronase; Glynase; Diabeta

> <FORMULA>
C23H28ClN3O5S

> <MASS>
494.00400

> <MONOISOTOPIC_MASS>
493.14382

> <CHARGE>
0

> <SMILES>
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1

> <INCHI>
InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)

> <INCHIKEY>
ZNNLBTZKUZBEKO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2230085

> <CAS_REGISTRY_NUMBER>
10238-21-8

> <CHEMIDPLUS>
10238-21-8

> <DRUGBANK_ACCESSION>
DB01016

> <KEGG_COMPOUND_ACCESSION>
C07022

> <KEGG_DRUG_ACCESSION>
D00336

> <LINCS_ACCESSION>
LSM-2811

> <WIKIPEDIA_ACCESSION>
Glibenclamide

> <PUBMED_CITATION>
16081479; 20797618

$$$$