Verruculotoxin
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Basic information
- CAS
56092-63-8- Standard SMILES
O=C1N[C@@H](Cc2ccccc2)CN2CCCC[C@@H]12- InChIKey
CUANCTHYEDWUMU-KBPBESRZSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Overview
Verruculotoxin is an organic heterobicyclic compound and an organonitrogen heterocyclic compound.
Names & identifiers
- Preferred name
- Verruculotoxin
- IUPAC
- (3S,9aS)-3-benzyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-1-one
- English name
- verruculotoxin
- Molecular formula
- C15H20N2O
- Molecular weight
- 244.33
Names & synonyms
Verruculotoxin56092-63-8(3S,9aS)-3-benzyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-1-oneDTXSID702046391-oxo-3-benzyloctahydro-2H-pyrido(1,2-a)pyrazine(3S-trans)-Hexahydro-3-(phenylmethyl)-2H-pyrido(1,2-a)pyrazin-1(6H)-one(3S,9aS)-3-benzyl-2,3,4,6,7,8,9,9a-octahydropyrido(1,2-a)pyrazin-1-oneRefChem:194045DTXCID50127130(3S,9AS)-3-benzyloctahydro-1H-pyrido[1,2-a]pyrazin-1-one(3s,9as)-3-benzylhexahydro-2h-pyrido[1,2-a]pyrazin-1(6h)-oneCompound NP-012253
Show more names
(3S,9aS)-Octahydro-3-benzyl-2H-pyrido[1,2-a]pyrazin-1-one2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)-
CHEBI:9969orb3171987AKOS030537582NCGC00384659-01T130024Q27108540
Database identifiers
- CAS
56092-63-8- PubChem CID
- 162146
- DTXSID
DTXSID70204639- ChEBI
CHEBI:9969- Nikkaji
- J11.116C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Additional notes
DefinitionChEBI: Verruculotoxin is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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