Trimethyl-[(13S,17S)-13-Methyl-3-[2-(1-Methylpyrrolidin-1-Ium-1-Yl)Ethoxy]-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Azanium Diiodide
[CAS 142575-15-3]

Identification

• Name: Trimethyl-[(13S,17S)-13-Methyl-3-[2-(1-Methylpyrrolidin-1-Ium-1-Yl)Ethoxy]-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Azanium Diiodide
• Synonyms: Trimethyl-[(13S,17S)-13-Methyl-3-[2-(1-Methylpyrrolidin-1-Ium-1-Yl)Ethoxy]-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ammonium Diiodide; Trimethyl-[(13S,17S)-13-Methyl-3-[2-(1-Methyl-1-Pyrrolidin-1-Iumyl)Ethoxy]-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ammonium Diiodide; Pyrrolidinium, 1-Methyl-1-(2-(((17-Beta)-17-(Trimethylammonia)Estra-1,3,5-Trien-3-Yl)Oxy)Ethyl)-, Diiodide, (17-Beta)-
• Molecular Formula: C₂₈H₄₆I₂N₂O
• Molecular Weight: 680.49
• CAS Registry Number: 142575-15-3
• SMILES: [C@@H]4(CCC5C3CCC1=C(C=CC(=C1)OCC[N+]2(CCCC2)C)C3CC[C@]45C)[N+](C)(C)C.[I-].[I-]
• InChI: 1S/C28H46N2O.2HI/c1-28-15-14-24-23-11-9-22(31-19-18-30(5)16-6-7-17-30)20-21(23)8-10-25(24)26(28)12-13-27(28)29(2,3)4;;/h9,11,20,24-27H,6-8,10,12-19H2,1-5H3;2*1H/q+2;;/p-2/t24?,25?,26?,27-,28-;;/m0../s1
• InChIKey: MIPZZCBTBXCBDR-KMZHGQMHSA-L