Vincamine N4-mononitrate
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;nitric acid
Also Known As: Vincamine N4-mononitrate|Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3alpha,14beta,16alpha)-, mononitrate (salt)|5H-DIBENZO(a,d)CYCLOHEPTENE-5-PROPYLAMINE, N,N-DIMETHYL-, MONOHYDROBROMIDE|Nitric acid--methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (1/1)|Nitric acid--methyl 14beta-hydroxy-3alpha,16alpha-14,15-dihydroeburnamenine-14alpha-carboxylate (1/1)
| Molecular Formula | C21H27N3O6 |
|---|---|
| Molecular Weight | 417.18997 g/mol |
| LogP | 2.6048 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.18997 |
| Monoisotopic Mass | 417.18997 |
| Heavy Atoms | 30 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 68263-14-9 |
|---|---|
| SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.[N+](=O)(O)[O-] |
| InChIKey | XCBBMMSRSAGQQW-YAFGAGFVSA-N |
Product Overview
Vincamine N4-mononitrate (CAS 68263-14-9), with molecular formula C21H27N3O6 and molecular weight 417.18997 g/mol. IUPAC: 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;nitric acid.
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