Macrantaline
[2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenyl]methanol
Also Known As: MACRANTALINE|(+)-Macrantaline|KST-1A7586|(2,3-dimethoxy-6-{[(5s)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}phenyl)methanol|(2,3-Dimethoxy-6-{[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}phenyl)methanol|[2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenyl]methanol|{2,3-Dimethoxy-6-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl}methanol
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18384 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.18384 |
| Monoisotopic Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 69045-24-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2[C@@H]1CC4=C(C(=C(C=C4)OC)OC)CO)OC)OCO3 |
| InChIKey | UYVPKNMJIKNYPY-INIZCTEOSA-N |
Product Overview
Macrantaline (CAS 69045-24-5), with molecular formula C22H27NO6 and molecular weight 401.18384 g/mol. IUPAC: [2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenyl]methanol.
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