2-Bromoacetamidoestrone Methyl Ether
[CAS# 60973-95-7]

Identification

• Name: 2-Bromoacetamidoestrone Methyl Ether
• Synonyms: 2-Bromo-N-[(13S)-17-Keto-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-2-Yl]Acetamide; 2-Bromo-N-[(13S)-3-Methoxy-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-2-Yl]Ethanamide; 2-Bromo-N-(3-Methoxy-17-Oxoestra-1,3,5(10)-Trien-2-Yl)Acetamide
• Molecular Formula: C₂₁H₂₆BrNO₃
• Molecular Weight: 420.35
• CAS Registry Number: 60973-95-7
• SMILES: [C@]34(C(C2CCC1=C(C=C(NC(CBr)=O)C(=C1)OC)C2CC3)CCC4=O)C
• InChI: 1S/C21H26BrNO3/c1-21-8-7-13-14(16(21)5-6-19(21)24)4-3-12-9-18(26-2)17(10-15(12)13)23-20(25)11-22/h9-10,13-14,16H,3-8,11H2,1-2H3,(H,23,25)/t13?,14?,16?,21-/m0/s1
• InChIKey: VNGDGEGSZSVNCN-AKLDVZJWSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 547.235°C at 760 mmHg (Cal.)
• Flash point: 284.758°C (Cal.)