For research use only. Not for therapeutic Use.
CAS Number | 113694-64-7 |
Synonyms | pentapotassium;2-[6-[bis(carboxylatomethyl)amino]-5-[2-[2-[bis(carboxylatomethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate |
Molecular Formula | C29H22K5N3O14 |
Purity | ≥95% |
IUPAC Name | pentapotassium;2-[6-[bis(carboxylatomethyl)amino]-5-[2-[2-[bis(carboxylatomethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate |
InChI | InChI=1S/C29H27N3O14.5K/c1-15-2-3-17(31(11-24(33)34)12-25(35)36)20(6-15)43-4-5-44-21-7-16-8-22(28-30-10-23(46-28)29(41)42)45-19(16)9-18(21)32(13-26(37)38)14-27(39)40;;;;;/h2-3,6-10H,4-5,11-14H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;;/q;5*+1/p-5 |
InChIKey | HQKWBBCTCLUGSX-UHFFFAOYSA-I |
SMILES | CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=C3C(=C2)C=C(O3)C4=NC=C(O4)C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+] |
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