2-({(E)-[(3E,11beta)-11,21-Dihydroxy-18,20-dioxopregn-4-en-3-ylidene]amino}oxy)-N-{2-[4-(¹²⁵I)iodo-1H-imidazol-5-yl]ethyl}acetamide
[CAS# 87002-37-7]

Identification

• Name: 2-({(E)-[(3E,11beta)-11,21-Dihydroxy-18,20-dioxopregn-4-en-3-ylidene]amino}oxy)-N-{2-[4-(¹²⁵I)iodo-1H-imidazol-5-yl]ethyl}acetamide
• Synonyms: 2-((((11β)-11,21-Dihydroxy-18,20-dioxopregn-4-en-3-ylidene)amino)oxy)-N-(2-(5-(iodo-125I)-1H-imidazol-4-yl)ethyl)acetamide; Acetamide, 2-((((11β)-11,21-dihydroxy-18,20-dioxopregn-4-en-3-ylidene)amino)oxy)-N-(2-(5-(iodo-125I)-1H-imidazol-4-yl)ethyl)-; ACOIH
• Molecular Formula: C₂₈H₃₇₁₂₅IN₄O₆
• Molecular Weight: 650.52
• CAS Registry Number: 87002-37-7
• SMILES: CC12CCC(=NOCC(=O)NCCc3c(nc[nH]3)I)C=C1CCC4C2C(CC5(C4CCC5C(=O)CO)C=O)O
• InChI: 1S/C28H37IN4O6/c1-27-8-6-17(33-39-13-24(38)30-9-7-21-26(29)32-15-31-21)10-16(27)2-3-18-19-4-5-20(23(37)12-34)28(19,14-35)11-22(36)25(18)27/h10,14-15,18-20,22,25,34,36H,2-9,11-13H2,1H3,(H,30,38)(H,31,32)/b33-17+/t18-,19-,20+,22-,25+,27-,28+/m0/s1/i29-2
• InChIKey: JALDDFVSKIVSGM-JTYAGRGJSA-N

Properties

• Density: 1.721g/cm³ (Cal.)