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Molecule
Vincamine
CAS: 1617-90-9 · C21H26N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1617-90-9
- Molecular Formula
- C21H26N2O3
- Molecular Mass
- 354.45 g/mol
Identifiers
CAS Registry Number
1617-90-9
SMILES
CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32
InChI Key
RXPRRQLKFXBCSJ-GIVPXCGWSA-N
InChI
InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
Names and Synonyms
- Vincamine Common Name
- Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3α,14β,16α)- Synonym
- Vincamine Synonym
- Minorine Synonym
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv. Synonym
- Devincan Synonym
- (+)-Vincamine Synonym
- Devinkan Synonym
- Vincamin Synonym
- Minorin Synonym
- Pervincamine Synonym
- Vincafor Synonym
- (+)-cis-Vincamine Synonym
- Methyl vincaminate Synonym
- cis-Vincamine Synonym
- Vincapan Synonym
- Vraap Synonym
- Arteriovinca Synonym
- Vincagil Synonym
- Tripervan Synonym
- Ocu-vinc Synonym
- Vincalen Synonym
- Novicet Synonym
- Vincadar Synonym
- Vincafolina Synonym
- NSC 91998 Synonym
- Sostenil Synonym
- Perval Synonym
- Vinvasaunier Synonym
- Equipur Synonym
- Angiopac Synonym
- Vincapront Synonym
- Vincamidol Synonym
- Vincafarm Synonym
- Oxygeron Synonym
- Vincimax Synonym
- Vinodrel Retard Synonym
- Pervone Synonym
- Oxybral Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.45 g/mol | CAS Common Chemistry |
| 354.45000000000016 g/mol | RDKit | |
| 355.458 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OC)C1(O)N2C=3C=CC=CC3C4=C2C5N(CC4)CCCC5(CC)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RXPRRQLKFXBCSJ-GIVPXCGWSA-N | CAS Common Chemistry |
| Melting Point | 232-233 °C | CAS Common Chemistry |
| Name | Vincamine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 54.7 Ų | RDKit |
| LogP | 2.9525000000000015 | RDKit |
| 2.9525 | RDKit | |
| Molar Refractivity | 98.73980000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 354.1943426919999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 354.45 g/mol. Edit any field — others recompute live.
