Basic information
- CAS
5574-24-3- Standard SMILES
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O- InChIKey
ZYKCETVKVRJFGD-UHFFFAOYSA-N- Molecular formula
- C20H17NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.11067264
Overview
Oxoglaucine is an isoquinoline alkaloid.
Names & identifiers
- Preferred name
- Oxoglaucine
- IUPAC
- 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
- English name
- oxoglaucine
- Molecular formula
- C20H17NO5
- Molecular weight
- 351.35
Names & synonyms
Oxoglaucine5574-24-31,2,9,10-Tetramethoxy-7H-dibenzo[de,g]quinolin-7-oneNSC-141543GS9G7S2C6G4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-oneDTXSID202042857H-Dibenzo[de,g]quinolin-7-one, 1,2,9,10-tetramethoxy-1,2,9,10-Tetramethoxy-7H-Dibenzo(de,g)quinolin-7-one7H-Dibenzo(de,g)quinolin-7-one, 1,2,9,10-tetramethoxy-4,5,15,16-tetramethoxy-10-azatetracyclo(7.7.1.0^(2,7).0^(13,17))heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one4,5,15,16-tetramethoxy-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Show more names
oxoglaucine USP/EP/BP
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-onecompound 57704RefChem:168979DTXCID20126776O-MethylatherolineATHEROLINE, O-METHYLMLS000574946SMR000156317
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Experimental & physicochemical properties
Melting Point227 - 229 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 227 · 227-229℃ (chloroform methanol )
- Boiling point
- 577.9 · 577.9±50.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3 (20 ºC 760 Torr)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 1.93 · 1.93±0.20(Predicted)
- InChI
- InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3
- InChIKey
- ZYKCETVKVRJFGD-UHFFFAOYSA-N
- SMILES
- N1C2=C3C(=C(OC)C(OC)=CC3=CC=1)C1=CC(OC)=C(OC)C=C1C2=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
DescriptionAn alkaloid isolated from Annona purpurea, O-methylatheroline contains four methoxyl groups in the molecule. Physiologically, it has been found to be cytotoxic to 9-KB experimental tumours.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers35 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
天津长江化学有限公司
Related reactions
2 records
Compound notes
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