Vincamine 5-bromonicotinate
5-bromopyridine-3-carboxylic acid;methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Also Known As: Vincamine 5-bromonicotinate|Methyl (3alpha,14beta,16alpha)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate, mono(5-bromonicotinate)|Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3-alpha,14-beta,16-alpha)-, mono(5-bromo-3-pyridinecarboxylate) (salt)|261-397-6|3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo(3,2,1-de)pyrido(3,2,1-ij)(1,5)naphthyridine-12-carboxylate (1:1)|3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1)|3-Pyridinecarboxylic acid, 5-bromo-, compd. with (3alpha,14beta,16alpha)-methyl 14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate (1:1)|5-Bromopyridine-3-carboxylic acid--methyl 14beta-hydroxy-3alpha,16alpha-14,15-dihydroeburnamenine-14alpha-carboxylate (1/1)
| Molecular Formula | C27H30BrN3O5 |
|---|---|
| Molecular Weight | 555.1369 g/mol |
| LogP | 4.4948 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 555.1369 |
| Monoisotopic Mass | 555.1369 |
| Heavy Atoms | 36 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 58703-79-0 |
|---|---|
| SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C1=C(C=NC=C1Br)C(=O)O |
| InChIKey | SEFKORZDDBRVFX-YAFGAGFVSA-N |
Product Overview
Vincamine 5-bromonicotinate (CAS 58703-79-0), with molecular formula C27H30BrN3O5 and molecular weight 555.1369 g/mol. IUPAC: 5-bromopyridine-3-carboxylic acid;methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate.