1-Benzoylnapelline
Basic information
- CAS
198126-85-1- Standard SMILES
C=C1[C@H]2CC3(C4C[C@H]5C6(C4N(CC)C[C@]5(C)CC[C@@H]6OC(=O)c4ccccc4)[C@@H]3C[C@@H]2O)[C@@H]1O- InChIKey
CHQAPVIVKFPRBM-HTQXLVHVSA-N- Molecular formula
- C29H37NO4
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.27225866
Overview
inhibits hippocampal excitability; isolated from Aconitum; structure in first source
Names & identifiers
- Preferred name
- 1-Benzoylnapelline
- IUPAC
- [(2R,4S,5R,7R,13R,16S,17R)-11-ethyl-4,7-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-16-yl] benzoate
Names & synonyms
1-Benzoylnapelline198126-85-1RefChem:90750312,3,6a-Ethanylylidene-9,11a-methanoazuleno(2,1-b)azocine-6,8,11-triol, tetradecahydro-1-ethyl-3-methyl-10-methylene-, 6-benzoate, (3R-(3-alpha,6-beta,6a-alpha,6b-alpha,8-beta,9-beta,11a,11a-beta,12a,12a-beta,14R*))-
Database identifiers
- CAS
198126-85-1- PubChem CID
- 3075701
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 914
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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