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Molecule
Pioglitazone Hydrochloride
CAS: 112529-15-4 · C19H21ClN2O3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112529-15-4
- Molecular Formula
- C19H21ClN2O3S
- Molecular Mass
- 392.91 g/mol
Identifiers
CAS Registry Number
112529-15-4
SMILES
CCc1ccc(CCOc2ccc(CC3SC(=O)N=C3O)cc2)nc1.Cl
InChI Key
GHUUBYQTCDQWRA-UHFFFAOYSA-N
InChI
InChI=1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H
Names and Synonyms
- Pioglitazone Hydrochloride Common Name
- 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, hydrochloride (1:1) Synonym
- 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (±)- Synonym
- 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride Synonym
- U 72107A Synonym
- Pioglitazone hydrochloride Synonym
- AD 4833 Synonym
- Actos Synonym
- 5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride Synonym
- Poze Synonym
- Piomed Synonym
- Glutazone Synonym
- Sepioglin Synonym
- Paglitaz Synonym
- Glidipion Synonym
- Glustin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 392.91 g/mol | CAS Common Chemistry |
| 392.9080000000001 g/mol | RDKit | |
| 392.908 g/mol | RDKit | |
| 392.898 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C1SC(C(=O)N1)CC2=CC=C(OCCC3=NC=C(C=C3)CC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H | CAS Common Chemistry |
| InChI Key | InChIKey=GHUUBYQTCDQWRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 193-194 °C | CAS Common Chemistry |
| Name | Pioglitazone hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 71.78 Ų | RDKit |
| LogP | 4.421700000000004 | RDKit |
| 4.4217 | RDKit | |
| 4.06 | chempirical lib | |
| Molar Refractivity | 107.04680000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 392.096141212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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40
20
0 ppm
| 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 = 392.91 g/mol. Edit any field — others recompute live.
