3-(Sulfooxy)-Estra-1,3,5(10),7-Tetraen-17-One Sodium Salt
[CAS# 16680-47-0]

Identification

• Name: 3-(Sulfooxy)-Estra-1,3,5(10),7-Tetraen-17-One Sodium Salt
• Synonyms: Sodium (17-Keto-13-Methyl-9,11,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-Yl) Sulfate; Conjugated Estrogens: Sodium Equilin Sulfate
• Molecular Formula: C₁₈H₁₉NaO₅S
• Molecular Weight: 370.39
• CAS Registry Number: 16680-47-0 (27540-07-4)
• EINECS: 240-727-2
• SMILES: C1=CC(=CC2=C1C4C(=CC2)C3C(C(=O)CC3)(CC4)C)O[S]([O-])(=O)=O.[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
• InChIKey: QTTMOCOWZLSYSV-UHFFFAOYSA-M