1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (R-(R*,R*))-
Basic information
- CAS
1850-90-4- Standard SMILES
COc1ccc2c(c1OC)C(=O)OC2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)[O-]- InChIKey
HFGDOEGDRDVXPX-GBFLJEJBSA-N- Molecular formula
- C22H23NO8
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 429.14236669
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (R-(R*,R*))-
- IUPAC
- 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-6-oxido-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one
Names & synonyms
l-beta-Narcotine N-oxide1850-90-41(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (R-(R*,R*))-DTXSID50171698RefChem:211741DTXCID70941896,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-6-oxo-5,6,7,8-tetrahydro-2H-6lambda~5~-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one
Database identifiers
- CAS
1850-90-4- PubChem CID
- 15813
- DTXSID
DTXSID50171698
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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