Oxoglaucine methiodide
Basic information
- CAS
55974-08-8- Standard SMILES
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3cc[n+](C)c(c13)C2=O.[I-]- InChIKey
XIPYSOZMFQYKMU-UHFFFAOYSA-M- Molecular formula
- C21H20INO5
- Average molar mass
- 493.3 g/mol
- Monoisotopic mass
- 493.03862
Overview
structure given in first source; RN given refers to iodide; RN for parent cpd not available 6/89
Names & identifiers
- Preferred name
- Oxoglaucine methiodide
- IUPAC
- 4,5,15,16-tetramethoxy-10-methyl-10-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one iodide
- English name
- Oxoglaucine methiodide
- Molecular formula
- C21H20NO5.I
- Molecular weight
- 493.291
Names & synonyms
Oxoglaucine methiodide55974-08-8RefChem:1689801,2,9,10-Tetramethoxy-6-methyl-7-oxo-7H-dibenzo(de,g)quinolinium iodideDTXSID90971376XIPYSOZMFQYKMU-UHFFFAOYSA-M7H-DIBENZO(de,g)QUINOLINIUM, 1,2,9,10-TETRAMETHOXY-6-METHYL-7-OXO-, IODIDE4,5,15,16-tetramethoxy-10-methyl-10-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one;iodide1,2,9,10-Tetramethoxy-6-methyl-7-oxo-7H-dibenzo[de,g]quinolin-6-ium iodide
Database identifiers
- CAS
55974-08-8- PubChem CID
- 41680
- DTXSID
DTXSID90971376
Properties
Computed structural properties
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
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Related reactions
2 records
Compound notes
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