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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 Weight:
354.45000000000016 g/mol
Names and Synonyms:
Vincamine
Vinodrel Retard
Oxygeron
Vincapront
Equipur
Ocu-vinc
Tripervan
Methyl vincaminate
Minorin
(+)-Vincamine
Pervone
Vincimax
Vincamidol
Vinvasaunier
Perval
NSC 91998
Vraap
(+)-cis-Vincamine
Devinkan
Oxybral
Vincafarm
Angiopac
Sostenil
Vincadar
Arteriovinca
Vincapan
Vincafor
Pervincamine
Devincan
Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3α,14β,16α)-
Vincafolina
Novicet
Vincalen
Vincagil
cis-Vincamine
Vincamin
1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.
Minorine
Vincamine
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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 354.45000000000016 g/mol | RDKit |
| Exact | Exact Molecular Weight | 354.1943426919999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 26 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 54.7 Ų | RDKit |
| Physical Properties | LogP | 2.9525000000000015 | RDKit |
| molecular_mass | 354.45 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(OC)C1(O)N2C=3C=CC=CC3C4=C2C5N(CC4)CCCC5(CC)C1 | Legacy Database | |
| cas-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 | Legacy Database | |
| cas-inchi-key | InChIKey=RXPRRQLKFXBCSJ-GIVPXCGWSA-N | Legacy Database | |
| cas-melting-point | 232-233 °C | Legacy Database | |
| cas-name | Vincamine | Legacy Database | |
| Molar | Molar Refractivity | 98.73980000000005 | RDKit |
