N,N-Diethyl-2-(((3-beta,20R)-20-Hydroxypregn-5-En-3-Yl)Oxy)-N-Methylethanaminium 4-Methylbenzenesulfonate
[CAS# 68710-62-3]

Identification

• Name: N,N-Diethyl-2-(((3-beta,20R)-20-Hydroxypregn-5-En-3-Yl)Oxy)-N-Methylethanaminium 4-Methylbenzenesulfonate
• Synonyms: Diethyl-[2-[[(3S,10R,13S,17S)-17-(1-Hydroxyethyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethyl]-Methyl-Ammonium; 4-Methylbenzenesulfonate; Diethyl-[2-[[(3S,10R,13S,17S)-17-(1-Hydroxyethyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethyl]-Methylammonium; 4-Methylbenzenesulfonate; Diethyl-[2-[[(3S,10R,13S,17S)-17-(1-Hydroxyethyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethyl]-Methyl-Azanium; 4-Methylbenzenesulfonate
• Molecular Formula: C₃₅H₅₇NO₅S
• Molecular Weight: 603.90
• CAS Registry Number: 68710-62-3
• SMILES: [C@]14([C@H](CCC1C2C([C@@]3(C(=CC2)C[C@@H](OCC[N+](CC)(CC)C)CC3)C)CC4)[C@H](O)C)C.C5=C([S]([O-])(=O)=O)C=CC(=C5)C
• InChIKey: RZLDDHBBEVPZBG-FEQIGCHASA-M