Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
methyl (1R,9R,16R,18R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Also Known As: Kopsinine|methyl(2|A,3|A,5|A)-aspidofractinine-3-carboxylate|Methyl (1R,9R,16R,18R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate|Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
CAS: 6342-75-2
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.19943 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.19943 |
| Monoisotopic Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 6342-75-2 |
|---|---|
| SMILES | COC(=O)[C@@H]1C[C@]23CCCN4C2[C@@]5([C@]1(CC3)NC6=CC=CC=C65)CC4 |
| InChIKey | IYLRRIUNGGQRTN-GKCDKPGPSA-N |
Product Overview
Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- (CAS 6342-75-2), with molecular formula C21H26N2O2 and molecular weight 338.19943 g/mol. IUPAC: methyl (1R,9R,16R,18R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate.
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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