Unii-C9L2gug8W2
[(1R,10S,12R,13E,14R,16S,17S,18R)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
Also Known As: Vomilenine|Ajmalan-17,21-diol, 1,2,19,20-tetradehydro-1-demethyl-, 17-acetate, (17R,19E,21alpha)-|AJMALAN-17,21-DIOL, 1,2,19,20-TETRADEHYDRO-1-DEMETHYL-, 17-ACETATE, (17R,19E,21.ALPHA.)-
CAS: 6880-50-8
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16306 g/mol |
| LogP | 2.3131 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.16306 |
| Monoisotopic Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 906.2722 |
Chemical Identifiers
| CAS Number | 6880-50-8 |
|---|---|
| SMILES | C/C=C/1\[C@@H]2C[C@H]3C4=NC5=CC=CC=C5[C@]46C[C@@H]([C@H]2[C@H]6OC(=O)C)N3[C@@H]1O |
Product Overview
Unii-C9L2gug8W2 (CAS 6880-50-8), with molecular formula C21H22N2O3 and molecular weight 350.16306 g/mol. IUPAC: [(1R,10S,12R,13E,14R,16S,17S,18R)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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