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CAS | 5453-51-0 |
Structure | |
Description | 5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione is a marine derived natural products found in Leptopsammia pruvoti. |
Synonyms | (4Z)-4-(1H-indol-3-ylmethylidene)-4H-imidazole-2,5-diol |
IUPAC Name | 4-Hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one |
Molecular Weight | 227.22 |
Canonical SMILES | C1=CC=C2C(=C1)C(=CC3=C(NC(=O)N3)O)C=N2 |
InChI | InChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H2,14,15,17)/b7-5- |
InChI Key | RBTNARRBWGUBEI-ALCCZGGFSA-N |
Purity | 95%+ |
Complexity | 451 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 227.069476538 |
Heavy Atom Count | 17 |
Isomeric SMILES | C1=CC=C2C(=C1)/C(=C\C3=C(NC(=O)N3)O)/C=N2 |
Monoisotopic Mass | 227.069476538 |
Physical State | Powder |
Storage Conditions | Powder: -20°C for 3 years In solvent: -80°C for 2 years |
Topological Polar Surface Area | 73.7 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.