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Molecule
Rivastigmine
CAS: 123441-03-2 · C14H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 123441-03-2
- Molecular Formula
- C14H22N2O2
- Molecular Mass
- 250.34 g/mol
Identifiers
CAS Registry Number
123441-03-2
SMILES
CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1
InChI Key
XSVMFMHYUFZWBK-NSHDSACASA-N
InChI
InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
Names and Synonyms
- Rivastigmine Common Name
- Carbamic acid, N-ethyl-N-methyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester Synonym
- Carbamic acid, ethylmethyl-, 3-[1-(dimethylamino)ethyl]phenyl ester, (S)- Synonym
- Carbamic acid, ethylmethyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester Synonym
- SDZ 212-713 Synonym
- Rivastigmine Synonym
- Exelon Synonym
- ENA 713 free base Synonym
- S-Rivastigmine Synonym
- Prometax Synonym
- Rivastach Synonym
- [3-[(1S)-1-(Dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate Synonym
- Nimvastid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.34 g/mol | CAS Common Chemistry |
| 250.34199999999998 g/mol | RDKit | |
| 250.342 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=CC(=C1)C(N(C)C)C)N(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XSVMFMHYUFZWBK-NSHDSACASA-N | CAS Common Chemistry |
| Name | Rivastigmine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.78 Ų | RDKit |
| 32.32 Ų | chempirical lib | |
| LogP | 2.7597000000000014 | RDKit |
| 2.7597 | RDKit | |
| 2.79 | chempirical lib | |
| Molar Refractivity | 72.87200000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 250.168127944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 250.34 g/mol. Edit any field — others recompute live.
