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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
Diazet
Gluvans
Glyform
Glimidstada
Diabiphage
Gluco-Tabinen
Glidiabet
Apo-Glibenclamide
Renabetic
Pira
Glibil
Gliban
Glucomid
Glimel
Debtan
Miglucan
Humedia
Micronase
Betanase
UR 606
N-[4-[β-(2-Methoxy-5-chlorobenzamido)ethyl]benzenesulfonyl]-N′-cyclohexylurea
N-4-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulfonyl-N′-cyclohexylurea
Glynase
Prodiabet
Tiabet
5-Chloro-N-(2-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)phenyl)ethyl)-2-methoxybenzamide
Glymet
Glustat
RP 1127
Abbenclamide
Gliben-Puren N
Gluben
Gliboral
Calabren
Hemi-Daonil
Glucoven
Sugril
Bastiverit
Glucolon
Glibet
Antibet
Glucohexal
Glibens
Betanese 5
Betanaz
Euglucan
Gilemal
Euglucon
Euglucon 5
HD 419
HB 419
Glybenzcyclamide
5-Chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxybenzamide
Glucoremed
Wuglucon
Diaben
Melix
Glicuformine
Glubate
Duraglucon
Glycolande
Yuglucon
Glucobene
Glamide
Benclamin
Libanil
Suraben
Glibesyn
Glyben
Glicem
Glisulin
Glibetic
Cytagon
Dibelet
Med-Glionil
Glycolande N
Daonil N
Semi-Euglucon
Euglykon
Diabeta
Daonil
Maninil
U 26452
1-[[-p-[2-(5-Chloro-o-anisamido)ethyl]phenyl]sulfonyl]-3-cyclohexylurea
N-[4-(β-(2-Methoxy-5-chlorobenzamido)ethyl)benzosulfonyl]-N′-cyclohexylurea
Glyburide
1-[4-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulfonyl]-3-cyclohexylurea
Dia-basan
Glukovital
Orabetic
Amglidia
Glyburine
Glibomet
Adiab
Glimide
Glibenil
Gliben
GBN 5
Glycomin
Azuglucon
Semi-Euglucon N
1-[p-2-(5-Chloro-o-anisamido)ethylphenylsulfonyl]-3-cyclohexylurea
Glibenclamide
Urea, 1-[[p-[2-(5-chloro-o-anisamido)ethyl]phenyl]sulfonyl]-3-cyclohexyl-
Benzamide, 5-chloro-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-
Gl
Semi-Daonil
Norboral
Glucal
Glitisol
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 |
