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Vincamine
CAS: 1617-90-9 | C21H26N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1617-90-9
Molecular Formula:
C21H26N2O3
Molecular Mass:
354.45 g/mol
Names and Synonyms:
Vincamine
Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3α,14β,16α)-
Vincamine
Minorine
1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.
Devincan
(+)-Vincamine
Devinkan
Vincamin
Minorin
Pervincamine
Vincafor
(+)-cis-Vincamine
Methyl vincaminate
cis-Vincamine
Vincapan
Vraap
Arteriovinca
Vincagil
Tripervan
Ocu-vinc
Vincalen
Novicet
Vincadar
Vincafolina
NSC 91998
Sostenil
Perval
Vinvasaunier
Equipur
Angiopac
Vincapront
Vincamidol
Vincafarm
Oxygeron
Vincimax
Vinodrel Retard
Pervone
Oxybral
Identifiers:
SMILES:
CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32
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
Key Properties
Melting Point
232-233 °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 | 354.45 g/mol | CAS Common Chemistry |
| 354.45000000000016 g/mol | RDKit | |
| 354.1943426919999 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 98.73980000000005 | RDKit |
