7-{[(2E)-3-Iodo-2-Propen-1-Yl](Propyl)Amino}-5,6,7,8-Tetrahydro-2-Naphthalenol (2Z)-2-Butenedioate (1:1)
[CAS# 159559-71-4]

Identification

• Name: 7-{[(2E)-3-Iodo-2-Propen-1-Yl](Propyl)Amino}-5,6,7,8-Tetrahydro-2-Naphthalenol (2Z)-2-Butenedioate (1:1)
• Synonyms: (RS)-trans-7-Hydroxy-2-[N-propyl-N-(3'-iodo-2'-propenyl)amino]tetralin maleate; [159559-71-4]
• Molecular Formula: C₂₀H₂₆INO₅
• Molecular Weight: 487.33
• CAS Registry Number: 159559-71-4
• SMILES: CCCN(C/C=C/I)C1CCC2=C(C1)C=C(C=C2)O.C(=C\C(=O)O)\C(=O)O
• InChI: 1S/C16H22INO.C4H4O4/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15;5-3(6)1-2-4(7)8/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b8-3+;2-1-
• InChIKey: IQRDHLSQXOATHD-HBRCEPSSSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 50 mM in DMSO