2-Methoxyestradiol 3-Methyl Ether
[CAS# 5976-67-0]

Identification

• Name: 2-Methoxyestradiol 3-Methyl Ether
• Synonyms: (5Z)-1-Allyl-5-[(6-Bromo-1,3-Benzodioxol-5-Yl)Methylene]-2-Thioxo-Hexahydropyrimidine-4,6-Dione; (5Z)-1-Allyl-5-[(6-Bromo-1,3-Benzodioxol-5-Yl)Methylene]-2-Thioxohexahydropyrimidine-4,6-Dione; (5Z)-1-Allyl-5-[(6-Bromo-1,3-Benzodioxol-5-Yl)Methylene]-2-Thioxo-Hexahydropyrimidine-4,6-Quinone
• Molecular Formula: C₁₅H₁₁BrN₂O₄S
• Molecular Weight: 395.23
• CAS Registry Number: 5976-67-0
• SMILES: C2=C(\C=C1/C(=O)N(C(=S)NC1=O)CC=C)C(=CC3=C2OCO3)Br
• InChI: 1S/C15H11BrN2O4S/c1-2-3-18-14(20)9(13(19)17-15(18)23)4-8-5-11-12(6-10(8)16)22-7-21-11/h2,4-6H,1,3,7H2,(H,17,19,23)/b9-4-
• InChIKey: HNAUBMBVHGGRJT-WTKPLQERSA-N

Properties

• Density: 1.748g/cm³ (Cal.)