N-(4-Hydroxy-3,5-diiodophenylethyl)biotin amide
[CAS# 112242-37-2]

Identification

• Name: N-(4-Hydroxy-3,5-diiodophenylethyl)biotin amide
• Synonyms: Biotinyldiiodotyramine; Hexahydro-N-(2-(4-Hydroxy-3,5-Di(Iodo-125I)Phenyl)Ethyl)-2-Oxo-1H-Thieno(3,4-D)Imidazole-4-Pentanamide (3As-(3Aalpha,4Beta,6Aalpha))-; N-(4-Hydroxy-3,5-Diiodophenylethyl)Biotin Amide
• Molecular Formula: C₁₈H₂₃I₂N₃O₃S
• Molecular Weight: 615.27
• CAS Registry Number: 112242-37-2
• SMILES: [C@H]1(SC[C@H]2[C@@H]1NC(N2)=O)CCCCC(NCCC3=CC(=C(C(=C3)[125I])O)[125I])=O
• InChI: 1S/C18H23I2N3O3S/c19-11-7-10(8-12(20)17(11)25)5-6-21-15(24)4-2-1-3-14-16-13(9-27-14)22-18(26)23-16/h7-8,13-14,16,25H,1-6,9H2,(H,21,24)(H2,22,23,26)/t13-,14-,16-/m0/s1/i19-2,20-2
• InChIKey: QELCXXJUDKKEBU-DMPPVTDHSA-N

Properties

• Density: 1.808g/cm³ (Cal.)