Basic information
- CAS
16202-17-8- Standard SMILES
COc1ccc(CC2=[N+](C)CCc3cc(OC)c(O)cc32)cc1O- InChIKey
ZALYXKJOOUDZCC-UHFFFAOYSA-O- Molecular formula
- C19H22NO4+
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.15488318
Overview
Reticulinylium is a benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline. It is a benzylisoquinoline alkaloid and an organic cation. It is functionally related to a reticuline.
Names & identifiers
- Preferred name
- 1,2-Dehydroreticuline
- IUPAC
- 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol
Names & synonyms
1,2-DehydroreticulinereticulinyliumCHEBI:18363DTXSID603315441-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-3,4-dihydroisoquinolinium1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-olRefChem:71777DTXCID1028263816202-17-8tetrahydroreticuline1,2-Dehydroreticulinium
Show more names
C06167SCHEMBL3079881SCHEMBL29930944Q271030303,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium7-Hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
Database identifiers
- CAS
16202-17-8- PubChem CID
- 440930
- DTXSID
DTXSID60331544- ChEBI
CHEBI:18363- Nikkaji
- J471.975A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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