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Carteolol Hydrochloride
CAS: 51781-21-6 | C16H25ClN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51781-21-6
Molecular Formula:
C16H25ClN2O3
Molecular Mass:
328.84 g/mol
Names and Synonyms:
Carteolol Hydrochloride
2(1H)-Quinolinone, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-, hydrochloride (1:1)
2(1H)-Quinolinone, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-, monohydrochloride
5-(3-tert-Butylamino-2-hydroxy)propoxy-3,4-dihydrocarbostyril hydrochloride
OPC 1085
OC 1085
Carteolol hydrochloride
Mikelan
dl-Carteolol hydrochloride
Cartrol
Tenalin
Teoptic
Tenalet
Carteol
Arteoptic
Caltidren
Optipress
Endak
NSC 300906
Ocupress
Identifiers:
SMILES:
CC(C)(C)NCC(O)COc1cccc2c1CCC(O)=N2.Cl
InChI:
InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H
Key Properties
Melting Point
278 °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 | 328.84 g/mol | CAS Common Chemistry |
| 328.15537034000005 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C1NC=2C=CC=C(OCC(O)CNC(C)(C)C)C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H | CAS Common Chemistry |
| InChI Key | InChIKey=FYBXRCFPOTXTJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 278 °C | CAS Common Chemistry |
| Name | Carteolol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.08 Ų | RDKit |
| LogP | 2.770400000000001 | RDKit |
| Molar Refractivity | 90.99230000000003 | RDKit |
