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Glibenclamide
CAS: 10238-21-8 | C23H28ClN3O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10238-21-8
Molecular Formula:
C23H28ClN3O5S
Molecular Weight:
494.0130000000003 g/mol
Names and Synonyms:
Glibenclamide
Common Name
Diazet
Synonym
Gluvans
Synonym
Glyform
Synonym
Glimidstada
Synonym
Diabiphage
Synonym
Gluco-Tabinen
Synonym
Glidiabet
Synonym
Apo-Glibenclamide
Synonym
Renabetic
Synonym
Pira
Synonym
Glibil
Synonym
Gliban
Synonym
Glucomid
Synonym
Glimel
Synonym
Debtan
Synonym
Miglucan
Synonym
Humedia
Synonym
Micronase
Synonym
Betanase
Synonym
UR 606
Synonym
N-[4-[β-(2-Methoxy-5-chlorobenzamido)ethyl]benzenesulfonyl]-N′-cyclohexylurea
Synonym
N-4-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulfonyl-N′-cyclohexylurea
Synonym
Glynase
Synonym
Prodiabet
Synonym
Tiabet
Synonym
5-Chloro-N-(2-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)phenyl)ethyl)-2-methoxybenzamide
Synonym
Glymet
Synonym
Glustat
Synonym
RP 1127
Synonym
Abbenclamide
Synonym
Gliben-Puren N
Synonym
Gluben
Synonym
Gliboral
Synonym
Calabren
Synonym
Hemi-Daonil
Synonym
Glucoven
Synonym
Sugril
Synonym
Bastiverit
Synonym
Glucolon
Synonym
Glibet
Synonym
Antibet
Synonym
Glucohexal
Synonym
Glibens
Synonym
Betanese 5
Synonym
Betanaz
Synonym
Euglucan
Synonym
Gilemal
Synonym
Euglucon
Synonym
Euglucon 5
Synonym
HD 419
Synonym
HB 419
Synonym
Glybenzcyclamide
Synonym
5-Chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxybenzamide
Synonym
Glucoremed
Synonym
Wuglucon
Synonym
Diaben
Synonym
Melix
Synonym
Glicuformine
Synonym
Glubate
Synonym
Duraglucon
Synonym
Glycolande
Synonym
Yuglucon
Synonym
Glucobene
Synonym
Glamide
Synonym
Benclamin
Synonym
Libanil
Synonym
Suraben
Synonym
Glibesyn
Synonym
Glyben
Synonym
Glicem
Synonym
Glisulin
Synonym
Glibetic
Synonym
Cytagon
Synonym
Dibelet
Synonym
Med-Glionil
Synonym
Glycolande N
Synonym
Daonil N
Synonym
Semi-Euglucon
Synonym
Euglykon
Synonym
Diabeta
Synonym
Daonil
Synonym
Maninil
Synonym
U 26452
Synonym
1-[[-p-[2-(5-Chloro-o-anisamido)ethyl]phenyl]sulfonyl]-3-cyclohexylurea
Synonym
N-[4-(β-(2-Methoxy-5-chlorobenzamido)ethyl)benzosulfonyl]-N′-cyclohexylurea
Synonym
Glyburide
Synonym
1-[4-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulfonyl]-3-cyclohexylurea
Synonym
Dia-basan
Synonym
Glukovital
Synonym
Orabetic
Synonym
Amglidia
Synonym
Glyburine
Synonym
Glibomet
Synonym
Adiab
Synonym
Glimide
Synonym
Glibenil
Synonym
Gliben
Synonym
GBN 5
Synonym
Glycomin
Synonym
Azuglucon
Synonym
Semi-Euglucon N
Synonym
1-[p-2-(5-Chloro-o-anisamido)ethylphenylsulfonyl]-3-cyclohexylurea
Synonym
Glibenclamide
Synonym
Urea, 1-[[p-[2-(5-chloro-o-anisamido)ethyl]phenyl]sulfonyl]-3-cyclohexyl-
Synonym
Benzamide, 5-chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-
Synonym
Gl
Synonym
Semi-Daonil
Synonym
Norboral
Synonym
Glucal
Synonym
Glitisol
Synonym
Identifiers:
SMILES:
COc1ccc(Cl)cc1C(O)=NCCc1ccc(S(=O)(=O)NC(O)=NC2CCCCC2)cc1
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 494.01 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=CC(Cl)=CC=C3OC None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=ZNNLBTZKUZBEKO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 169 °C None | Legacy Database |
| cas-name | Glibenclamide None | Legacy Database |
| LogP | 4.420900000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 494.0130000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 493.14381967599996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 33 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 8 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 120.58000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 129.44110000000003 | RDKit |