Strychnidine
Basic information
- CAS
2054-81-1- Standard SMILES
C1=C2CN3CC[C@]45c6ccccc6N6CC[C@H](OC1)[C@@H]([C@H]64)[C@H]2C[C@H]35- InChIKey
AGRTUYYPROFOFX-ZMUQRAOQSA-N- Molecular formula
- C21H24N2O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.18886339
Overview
Strychnidine is a quinoline alkaloid, an indole alkaloid fundamental parent, a quinoline alkaloid fundamental parent, an organic heteroheptacyclic compound and a monoterpenoid indole alkaloid.
Names & identifiers
- Preferred name
- Strychnidine
- IUPAC
- (4aR,5aS,8aR,13aS,15aS,15bR)-2,4a,5,5a,7,8,13a,14,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline
Names & synonyms
StrychnidineCHEBI:36337DTXSID00942714RefChem:1099104DTXCID2013711052054-81-1StrychnidinQ27116795(4Ar,5aS,8aR,13aS,15aS,15bR)-2,4a,5,5a,7,8,13a,14,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline
Database identifiers
- CAS
2054-81-1- PubChem CID
- 9548769
- ChEBI
CHEBI:36337- Nikkaji
- J82.373B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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