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Molecule
Glimepiride
CAS: 93479-97-1 · C24H34N4O5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 93479-97-1
- Molecular Formula
- C24H34N4O5S
- Molecular Mass
- 490.63 g/mol
Identifiers
CAS Registry Number
93479-97-1
SMILES
CCC1=C(C)CN(C(O)=NCCc2ccc(S(=O)(=O)NC(O)=N[C@H]3CC[C@H](C)CC3)cc2)C1=O
InChI Key
WIGIZIANZCJQQY-RUCARUNLNA-N
InChI
InChI=1/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
Names and Synonyms
- Glimepiride Synonym
- 3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-1H-pyrrole-1-carboxamide Synonym
- 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo- Synonym
- 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-, trans- Synonym
- Glimepiride Synonym
- HOE 490 Synonym
- Amaryl Synonym
- trans-3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl] 2-oxo-1H-pyrrole-1-carboxamide Synonym
- Glimperide Synonym
- Glirid Synonym
- Diameprid Synonym
- Glimax Synonym
- Limeral Synonym
- Dibiglim Synonym
- GlucoNovax Synonym
- ZINC 537791 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 490.63 g/mol | CAS Common Chemistry |
| 490.62600000000026 g/mol | RDKit | |
| 490.626 g/mol | RDKit | |
| 490.619 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1CCC(C)CC1)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)N3C(=O)C(=C(C)C3)CC | CAS Common Chemistry |
| InChI | InChI=1/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19- | CAS Common Chemistry |
| InChI Key | InChIKey=WIGIZIANZCJQQY-RUCARUNLNA-N | CAS Common Chemistry |
| Melting Point | 212.5 °C | CAS Common Chemistry |
| Name | Glimepiride | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 131.66 Ų | RDKit |
| LogP | 3.482800000000002 | RDKit |
| 3.4828 | RDKit | |
| Molar Refractivity | 131.58610000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5417 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 490.224991188 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 490.63 g/mol. Edit any field — others recompute live.
