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Gliclazide
CAS: 21187-98-4 | C15H21N3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21187-98-4
Molecular Formula:
C15H21N3O3S
Molecular Mass:
323.42 g/mol
Names and Synonyms:
Gliclazide
Benzenesulfonamide, N-[[(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)amino]carbonyl]-4-methyl-
Urea, 1-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-3-(p-tolylsulfonyl)-
Cyclopenta[c]pyrrole, benzenesulfonamide deriv.
N-[[(Hexahydrocyclopenta[c]pyrrol-2(1H)-yl)amino]carbonyl]-4-methylbenzenesulfonamide
Gliclazide
Diamicron
S 1702
1-(Hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-3-(p-tolylsulfonyl)urea
SE 1702
S 852
N-(4-Methylbenzenesulfonyl)-N′-[3-azabicyclo(3,3,0)oct-3-yl]urea
Diabezidum
Glinormax
Diabrezide
Diaprel
Glyzide
Glimicron
Diabyl
1-(3,3a,4,5,6,6a-Hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea
1-(4-Methylbenzenesulfonyl)-3-[octahydrocyclopenta[c]pyrrol-2-yl]urea
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)NC(O)=NN2CC3CCCC3C2)cc1
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)
Key Properties
Melting Point
181 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.42 g/mol | CAS Common Chemistry |
| 323.4180000000001 g/mol | RDKit | |
| 323.13036253200005 g/mol | RDKit | |
| Canonical SMILES | O=C(NN1CC2CCCC2C1)NS(=O)(=O)C3=CC=C(C=C3)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=BOVGTQGAOIONJV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181 °C | CAS Common Chemistry |
| Name | Gliclazide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 82.0 Ų | RDKit |
| LogP | 1.8342199999999995 | RDKit |
| Molar Refractivity | 83.96830000000004 | RDKit |
