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Molecule
Rivastigmine Tartrate
CAS: 129101-54-8 · C18H28N2O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 129101-54-8
- Molecular Formula
- C18H28N2O8
- Molecular Mass
- 400.43 g/mol
Identifiers
CAS Registry Number
129101-54-8
SMILES
CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI Key
GWHQHAUAXRMMOT-MBANBULQSA-N
InChI
InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1
Names and Synonyms
- Rivastigmine Tartrate Synonym
- Carbamic acid, ethylmethyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester, (2R,3R)-2,3-dihydroxybutanedioate (1:1) Synonym
- Carbamic acid, N-ethyl-N-methyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester, (2R,3R)-2,3-dihydroxybutanedioate (1:1) Synonym
- Carbamic acid, ethylmethyl-, 3-[1-(dimethylamino)ethyl]phenyl ester, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) Synonym
- SDZ-ENA 713 Synonym
- ENA 713 Synonym
- Rivastigmine hydrogentartrate Synonym
- Rivastigmine tartrate Synonym
- rivastigmine bitartrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 400.43 g/mol | CAS Common Chemistry |
| 400.4280000000001 g/mol | RDKit | |
| 400.428 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O.O=C(OC1=CC=CC(=C1)C(N(C)C)C)N(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GWHQHAUAXRMMOT-MBANBULQSA-N | CAS Common Chemistry |
| Melting Point | 123-124 °C | CAS Common Chemistry |
| Name | Rivastigmine tartrate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 147.84 Ų | RDKit |
| 147.38 Ų | chempirical lib | |
| LogP | 0.6371000000000009 | RDKit |
| 0.6371 | RDKit | |
| Molar Refractivity | 100.15720000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 400.1845658559999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
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MW = 400.43 g/mol. Edit any field — others recompute live.
