Basic information
- CAS
6872-73-7- Standard SMILES
COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC- InChIKey
GOEJQGGEIVSVOK-UHFFFAOYSA-N- Molecular formula
- C22H22NO4+
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.15488318
Overview
2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium is a member of isoquinolines.
Names & identifiers
- Preferred name
- Coralyne
- IUPAC
- 2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium
Names & synonyms
CoralyneDTXSID2013191656872-73-75,6,7,8,13,13a-Hexahydro-8-methyl-2,3,10,11-tetramethoxyberbiniumRefChem:919040DTXCID8014557572,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-iumMonoanhydride with sulfuric acid2,3,10,11-tetramethoxy-8-methylisoquino[3,2-a]isoquinoliniumNSC3433421031265-39-0Spectrum_001122
Show more names
SpecPlus_000603Prestwick0_000431Prestwick1_000431Prestwick2_000431Prestwick3_000431Spectrum2_000605Spectrum3_000718Spectrum4_001865
Database identifiers
- CAS
6872-73-7- PubChem CID
- 23307
- DTXSID
DTXSID201319165- ChEMBL
CHEMBL1184668、CHEMBL363506- ChEBI
CHEBI:104157- Nikkaji
- J313.908E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 41 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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