Basic information
- CAS
26225-59-2- Standard SMILES
COc1ccc(/C=C/C(=O)c2c(OCCN(C)C)c(OC)c3occc3c2OC)cc1- InChIKey
WKEFCGWXBSXUOD-DHZHZOJOSA-N- Molecular formula
- C24H27NO6
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.18383758
Overview
Mecinarone is a small molecule drug. Mecinarone has a monoisotopic molecular weight of 425.18 Da.
Names & identifiers
- Preferred name
- Mecinarone
- IUPAC
- (E)-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
MecinaroneMecinaronaMecinaronum7B1550J80KRefChem:156202247-524-8Mecinarone [INN]26225-59-2(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one1-(6-(2-(Dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(p-methoxyphenyl)-2-propen-1-oneMecinaronum [INN-Latin]Mecinarona [INN-Spanish]
Show more names
1-[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)-
1-(6-(2-(Dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(4-methoxyphenyl)-2-propen-1-oneEINECS 247-524-8BRN 1670082MeciranoneUNII-7B1550J80K5-(p-Methoxy-cinnamoyl)-4,7-dimethoxy-6-dimethylaminoethoxybenzofuran5-18-05-00368 (Beilstein Handbook Reference)SCHEMBL2111441
Properties
Computed structural properties
- 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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