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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
Names and Synonyms:
Oxprenolol Hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propen-1-yloxy)phenoxy]-, hydrochloride (1:1)
(±)-Ba 39089
Trasicor
(±)-Oxprenolol hydrochloride
dl-Alprenolol hydrochloride
Oxiprenolol hydrochloride
Trasicor 80
Laracor
Paritane
Trasacor
Slow-Pren
2-Propanol, 1-[o-(allyloxy)phenoxy]-3-(isopropylamino)-, hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-, hydrochloride
1-(o-Allyloxyphenoxy)-3-isopropylamino-2-propanol hydrochloride
Ba 39089
CIBA 39089Ba
1-Isopropyl-amino-2-hydroxy-3-(O-allyloxyphenoxy)propane hydrochloride
Oxprenolol hydrochloride
1-Isopropylamino-3-(o-allyloxyphenoxy)-2-propanol hydrochloride
1-(2′-Allyloxyphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
1-(o-Allyloxyphenoxy)-3-isopropylamino-2-propranol-hydrochloride
1-(2-Allyloxyphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
Slow-Trasicor
(±)-1-[o-(Allyloxy)phenoxy]-3-isopropylamino-2-propanol hydrochloride
dl-Oxprenolol hydrochloride
Identifiers:
SMILES:
C=CCOc1ccccc1OCC(O)CNC(C)C.Cl
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
Key Properties
Melting Point
107-109 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 301.81 g/mol | CAS Common Chemistry |
| 301.8139999999999 g/mol | RDKit | |
| 301.144471308 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 84.02250000000005 | RDKit |
