Basic information
- CAS
61065-16-5- Standard SMILES
COc1ccc2c(c1OC)C(Cc1ccccc1)N1CCc3cc4c(cc3C1C2)OCO4- InChIKey
SKWMDAJIQZJZKL-UHFFFAOYSA-N- Molecular formula
- C27H27NO4
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.19400834
Names & identifiers
- Preferred name
- 8-Benzylcanadine
- IUPAC
- 14-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Names & synonyms
8-Benzylcanadine61065-16-5ST05929414-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene9,10-dimethoxy-8-benzyl-5,6,7,8,13,13a-hexahydro-2H-1,3-dioxoleno[4,5-g]isoqui nolino[3,2-a]isoquinolineNSC279529SCHEMBL3321890CHEMBL1531250DTXSID90313999AKOS024282948NSC-279529NCGC00142572-01
Show more names
8-Benzyl-9,10-dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline
Database identifiers
- CAS
61065-16-5- PubChem CID
- 322372
- DTXSID
DTXSID90313999- ChEMBL
CHEMBL1531250
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 639
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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