Sodium Equilin-2,4,16,16-D4 Sulfate
[CAS# 285979-81-9]

Identification

• Classification: Chemical reagent >> Deuterated reagent
• Name: Sodium Equilin-2,4,16,16-D4 Sulfate
• Synonyms: 3-Hydroxyestra-1,3,5(10),7-Tetraen-17-One-D4 Hydrogen Sulfate Sodium Salt; Equilin 3-Sulfate-D4 Sodium Salt (Stabilized With TRIS, 50% W/W); 3-(Sulfooxy)Estra-1,3,5(10),7-Tetraen-17-One-D4 Sodium Salt
• Molecular Formula: C₁₈H₁₅D₄NaO₅S
• Molecular Weight: 374.42
• CAS Registry Number: 285979-81-9
• SMILES: c1([2H])cc2c(c(c1OS(=O)(=O)[O-])[2H])CC=C1[C@@H]2CC[C@]2([C@H]1CC(C2=O)([2H])[2H])C.[Na+]
• InChI: 1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1/i3D,7D2,10D