4,11-dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one
Basic information
- CAS
475-91-2- Standard SMILES
COc1c2c(c(OC)c3c1c(=O)c1ccccc1n3C)OCO2- InChIKey
TZZNUDMEMFBPQI-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.09502258
Overview
Melicopidine is a member of acridines. It is functionally related to an acridone.
Names & identifiers
- Preferred name
- 4,11-dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one
- IUPAC
- 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
- English name
- MELICOPIDINE
- Molecular formula
- C17H15NO5
- Molecular weight
- 313.3
Names & synonyms
Melicopidine475-91-238R6F4CJ0M4,11-Dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-oneNSC-347571,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-DTXSID30754101,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-RefChem:1069208DTXCID2040573207-502-04,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
Show more names
NSC34757MLS002702837EINECS 207-502-0NSC 34757BRN 0335565Melicopidene4,11-dimethoxy-5-methyl[1,3]dioxolo[4,5-b]acridin-10(5h)-oneNCIMech_000790
Database identifiers
- CAS
475-91-2- PubChem CID
- 68060
- DTXSID
DTXSID3075410- ChEMBL
CHEMBL1864207- ChEBI
CHEBI:167835- UNII
- 38R6F4CJ0M
- EC Number
- 207-502-0
- Nikkaji
- J12.557A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 121 · 121-122 °C
- Boiling point
- 530.4 · 530.4±50.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- -1.32 · -1.32±0.20(Predicted)
- FDA UNII
- 38 R6F4CJ0M · 38R6F4CJ0M
- EPA Substance Registry System
- 1 · 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl- (475-91-2)
Chemistry & industry
Additional notes
DefinitionChEBI: Melicopidine is a member of acridines. It is functionally related to an acridone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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