Aphylline
Basic information
- CAS
577-37-7- Standard SMILES
O=C1[C@@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN12- InChIKey
YQMWQSMYVPLYDI-SYQHCUMBSA-N- Molecular formula
- C15H24N2O
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.18886339
Overview
Aphylline is a quinolizidine alkaloid.
Names & identifiers
- Preferred name
- Aphylline
- IUPAC
- (1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
Names & synonyms
Aphylline(+)-Aphylline577-37-7(1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-oneC107527alpha-Spartein-10-oneCHEBI:2767SCHEMBL29600923DTXSID80332013NS00094820
Database identifiers
- CAS
577-37-7- PubChem CID
- 442940
- DTXSID
DTXSID80332013- ChEBI
CHEBI:2767
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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