Aequorine
8-benzyl-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-one
| Molecular Formula | C26H21N3O4 |
|---|---|
| Molecular Weight | 439.5 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 106.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.1532 |
| Heavy Atoms | 33 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 50934-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(C3=O)(CC4=CC=C(C=C4)O)O)C5=CC=C(C=C5)O |
| InChIKey | ULLMMKZQNNBLRN-UHFFFAOYSA-N |
📖 Product Overview
Aequorine (CAS: 50934-79-7) is a chemical compound with molecular formula C26H21N3O4 and molecular weight 439.5 g/mol. Its IUPAC systematic name is 8-benzyl-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-one.
ULLMMKZQNNBLRN-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(C3=O)(CC4=CC=C(C=C4)O)O)C5=CC=C(C=C5)O.
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