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Ropinirole Hydrochloride
CAS: 91374-20-8 | C16H25ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91374-20-8
Molecular Formula:
C16H25ClN2O
Molecular Mass:
296.84 g/mol
Names and Synonyms:
Ropinirole Hydrochloride
2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-, hydrochloride (1:1)
2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-, monohydrochloride
SKF 101468 hydrochloride
Ropinirole hydrochloride
SKF 101468A
Requip
Parkirop
Ropitar
Ropark
Repreve
Ronirol
Adartrel
Spiroco XL
Ralnea XL
Clevor
Identifiers:
SMILES:
CCCN(CCC)CCc1cccc2c1CC(O)=N2.Cl
InChI:
InChI=1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
Key Properties
Melting Point
241-243 °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 | 296.84 g/mol | CAS Common Chemistry |
| 296.8419999999999 g/mol | RDKit | |
| 296.16554110000004 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C1NC2=CC=CC(=C2C1)CCN(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H | CAS Common Chemistry |
| InChI Key | InChIKey=XDXHAEQXIBQUEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 241-243 °C | CAS Common Chemistry |
| Name | Ropinirole hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.83 Ų | RDKit |
| LogP | 3.917000000000003 | RDKit |
| Molar Refractivity | 87.84380000000004 | RDKit |
