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Molecule
Vinpocetine
CAS: 42971-09-5 · C22H26N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42971-09-5
- Molecular Formula
- C22H26N2O2
- Molecular Mass
- 350.46 g/mol
Identifiers
CAS Registry Number
42971-09-5
SMILES
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
InChI Key
DDNCQMVWWZOMLN-IRLDBZIGSA-N
InChI
InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
Names and Synonyms
- Vinpocetine Synonym
- Eburnamenine-14-carboxylic acid, ethyl ester, (3α,16α)- Synonym
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv. Synonym
- Ethyl apovincaminate Synonym
- Cavinton Synonym
- RGH 4405 Synonym
- Vinpocetine Synonym
- (+)-cis-Apovincaminic acid ethyl ester Synonym
- Apovincaminic acid ethyl ester Synonym
- Ethyl (+)-apovincaminate Synonym
- Ethyl (+)-cis-apovincaminate Synonym
- cis-Apovincaminic acid ethyl ester Synonym
- TCV 3B Synonym
- (+)-Apovincaminic acid ethyl ester Synonym
- Ceractin Synonym
- AY 27255 Synonym
- Ultra-Vinca Synonym
- Bravinton Synonym
- Vinporal Synonym
- (+)-Vinpocetine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.46 g/mol | CAS Common Chemistry |
| 350.462 g/mol | RDKit | |
| 351.47 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCC)C1=CC2(CC)CCCN3CCC=4C=5C=CC=CC5N1C4C32 | CAS Common Chemistry |
| InChI | InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DDNCQMVWWZOMLN-IRLDBZIGSA-N | CAS Common Chemistry |
| Melting Point | 147-153 °C (decomp) | CAS Common Chemistry |
| Name | Vinpocetine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 34.47 Ų | RDKit |
| LogP | 4.148300000000003 | RDKit |
| 4.1483 | RDKit | |
| 4.4 | chempirical lib | |
| Molar Refractivity | 102.82000000000004 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 350.199428072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 350.46 g/mol. Edit any field — others recompute live.
