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Basic information
- CAS
26225-59-2- Standard SMILES
COc1ccc(C=CC(=O)c2c(OCCN(C)C)c(OC)c3occc3c2OC)cc1- InChIKey
WKEFCGWXBSXUOD-UHFFFAOYSA-N- Molecular formula
- C24H27NO6
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.18383758
Names & identifiers
- Preferred name
- 1-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-2-propen-1-one
- IUPAC
- 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
- English name
- mecinarone
- Molecular formula
- C24H27NO6
- Molecular weight
- 425.47
Names & synonyms
DTXSID9010432641-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-2-propen-1-oneNS000506681-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-onemecinarone1-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxybenzofuran-5-yl]-3-(p-methoxyphenyl)-2-propen-1-one1-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(p-methoxyphenyl)-2-propen-1-one2-Propen-1-one, 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-
Database identifiers
- CAS
26225-59-2- PubChem CID
- 33455
- DTXSID
DTXSID901043264
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Melting point
- 88 °C · 88°C
- Boiling point
- 541.22 °C · 541.22°C (rough estimate)
- Density
- 1.257 · 1.2570 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 8.2 · 8.20±0.28(Predicted)
- FDA UNII
- 7 B1550J80K · 7B1550J80K
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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