trans-1-[(1E)-1-Cycloocten-1-Ylmethyl]-4-{[(2,7-Dichloro-9H-Xanthen-9-Yl)Carbonyl]Amino}-1-Ethylpiperidinium Iodide (1:1)
[CAS# 301648-08-8]

Identification

• Name: trans-1-[(1E)-1-Cycloocten-1-Ylmethyl]-4-{[(2,7-Dichloro-9H-Xanthen-9-Yl)Carbonyl]Amino}-1-Ethylpiperidinium Iodide (1:1)
• Synonyms: 1,4-trans-1-(1-Cycloocten-1-ylmethyl)-4-[[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino]-1-ethylpiperidinium iodide; UCB 35625
• Molecular Formula: C₆₀H₇₄Cl₄I₂N₄O₄
• Molecular Weight: 1310.87
• CAS Registry Number: 301648-08-8
• SMILES: CC[N@+]1(CC[C@H](CC1)NC(=O)C2C3=C(OC4=C2C=C(C=C4)Cl)C=CC(=C3)Cl)C/C/5=C/CCCCCC5.CC[N@+]1(CC[C@H](CC1)NC(=O)C2C3=C(OC4=C2C=C(C=C4)Cl)C=CC(=C3)Cl)C/C/5=C/CCCCCC5.[I-].[I-]
• InChI: 1S/2C30H36Cl2N2O2.2HI/c2*1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;;/h2*8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;2*1H/b2*21-8+;;/t2*24-,34-
• InChIKey: UADIUMALIYGKHV-RUXFXFGASA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 50 mM in ethanol