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Molecule
Oxprenolol Hydrochloride
CAS: 6452-73-9 · C15H24ClNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6452-73-9
- Molecular Formula
- C15H24ClNO3
- Molecular Mass
- 301.81 g/mol
Identifiers
CAS Registry Number
6452-73-9
SMILES
C=CCOc1ccccc1OCC(O)CNC(C)C.Cl
InChI Key
COAJXCLTPGGDAJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H
Names and Synonyms
- Oxprenolol Hydrochloride Synonym
- 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propen-1-yloxy)phenoxy]-, hydrochloride (1:1) Synonym
- (±)-Ba 39089 Synonym
- Trasicor Synonym
- (±)-Oxprenolol hydrochloride Synonym
- dl-Alprenolol hydrochloride Synonym
- Oxiprenolol hydrochloride Synonym
- Trasicor 80 Synonym
- Laracor Synonym
- Paritane Synonym
- Trasacor Synonym
- Slow-Pren Synonym
- 2-Propanol, 1-[o-(allyloxy)phenoxy]-3-(isopropylamino)-, hydrochloride Synonym
- 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-, hydrochloride Synonym
- 1-(o-Allyloxyphenoxy)-3-isopropylamino-2-propanol hydrochloride Synonym
- Ba 39089 Synonym
- CIBA 39089Ba Synonym
- 1-Isopropyl-amino-2-hydroxy-3-(O-allyloxyphenoxy)propane hydrochloride Synonym
- Oxprenolol hydrochloride Synonym
- 1-Isopropylamino-3-(o-allyloxyphenoxy)-2-propanol hydrochloride Synonym
- 1-(2′-Allyloxyphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride Synonym
- 1-(o-Allyloxyphenoxy)-3-isopropylamino-2-propranol-hydrochloride Synonym
- 1-(2-Allyloxyphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride Synonym
- Slow-Trasicor Synonym
- (±)-1-[o-(Allyloxy)phenoxy]-3-isopropylamino-2-propanol hydrochloride Synonym
- dl-Oxprenolol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 301.81 g/mol | CAS Common Chemistry |
| 301.8139999999999 g/mol | RDKit | |
| 301.814 g/mol | RDKit | |
| 301.811 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC(COC=1C=CC=CC1OCC=C)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=COAJXCLTPGGDAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107-109 °C | CAS Common Chemistry |
| Name | Oxprenolol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 50.72 Ų | RDKit |
| LogP | 2.410900000000001 | RDKit |
| 2.4109 | RDKit | |
| Molar Refractivity | 84.02250000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4667 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 301.144471308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 301.81 g/mol. Edit any field — others recompute live.
