Oxosparteine
Basic information
- CAS
489-72-5- Standard SMILES
O=C1C2CC(CN3CCCCC23)C2CCCCN12- InChIKey
YQMWQSMYVPLYDI-UHFFFAOYSA-N- Molecular formula
- C15H24N2O
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.18886339
Overview
lupanine has been reported in Cytisus scoparius, Genista monspessulana, and other organisms with data available.
Names & identifiers
- Preferred name
- Oxosparteine
- IUPAC
- 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
Names & synonyms
OxosparteineRefChem:10940857,15-diazatetracyclo(7.7.1.02,7.010,15)heptadecan-8-oneSPARTEINE, 17-OXO-MLS002919946NSC127496Aphylline11-EpiaphyllineSpartein-10-one #(-)-17-OxosparteineOxyspartein7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-6-one, dodecahydro-, [7R-(7.alpha.,7a.alpha.,14.alpha.,14a.beta.)]-
Show more names
SPARTEINE, 17-OXOSCHEMBL11465158YQMWQSMYVPLYDI-UHFFFAOYSA-N7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-6-one, dodecahydro-, [7R-(7.alpha.,7a.alpha.,14.alpha.,14a.alpha.)]-7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-6-one, dodecahydro-, [7R-(7.alpha.,7a.beta.,14.alpha.,14a.alpha.)]-SMR001797545NS000424477,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-6-one, dodecahydro-, [7R-(7.alpha.,7a.alpha.,14.alpha.,14a.beta.)]-
Database identifiers
- CAS
489-72-5- PubChem CID
- 97492
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
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Related reactions
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Compound notes
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