2-((Hexahydro-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecin-5(6H)-yl)methyl)-3-methoxyestra-1,3,5(10)-trien-17-one dihydrochloride
[CAS# 108736-70-5]

Identification

• Name: 2-((Hexahydro-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecin-5(6H)-yl)methyl)-3-methoxyestra-1,3,5(10)-trien-17-one dihydrochloride
• Synonyms: 2-((Hexahydro-3,3,10,10-Tetramethyl-1,2,5,8-Dithiadiazecin-5(6H)-Yl)Methyl)-3-Methoxyestra-1,3,5(10)-Trien-17-One Dihydrochloride; 5-(2-Methylene Estrone 3-Methyl Ether)-3,3,10,10-Tetramethyl-1,2-Dithia-5,8-Diazabicyclodecane; Dads-E
• Molecular Formula: C₃₀H₄₈Cl₂N₂O₂S₂
• Molecular Weight: 603.75
• CAS Registry Number: 108736-70-5
• SMILES: [C@H]23[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C4=C(CC3)C=C(OC)C(=C4)CN5CC(SSC(CNCC5)(C)C)(C)C)C.[H+].[H+].[Cl-].[Cl-]
• InChI: 1S/C30H46N2O2S2.2ClH/c1-28(2)18-31-13-14-32(19-29(3,4)36-35-28)17-21-15-24-20(16-26(21)34-6)7-8-23-22(24)11-12-30(5)25(23)9-10-27(30)33;;/h15-16,22-23,25,31H,7-14,17-19H2,1-6H3;2*1H/t22-,23+,25-,30-;;/m0../s1
• InChIKey: JEJDYDHMKHZVRL-HYPZIQOMSA-N

Properties

• Boiling point: 629.1°C at 760 mmHg (Cal.)
• Flash point: 334.3°C (Cal.)