Ru-Tuss
[CAS# 79329-85-4]

Identification

• Name: Ru-Tuss
• Molecular Formula: C₈₉H₁₁₉BrCl₃N₇O₁₇
• Molecular Weight: 1745.22
• CAS Registry Number: 79329-85-4
• SMILES: O[C@@H](CNC)C1=CC(=CC=C1)O.OC(=O)\C=C\C(O)=O.N3([C@H]4[C@H]2O[C@H]2[C@@H]3CC(C4)C5=CC=CC=C5C(CO)C(O)=O)C.N6(C7CC(CC6CC7)C8=CC(=CC=C8)C(CO)C(O)=O)C.N9(C%10CC(CC9CC%10)C%11=CC(=CC=C%11)C(CO)C(O)=O)C.N[C@@H](C(O)C%12=CC=CC=C%12)C.[H+].[H+].[H+].C%14=C(C(CCN(C)C)C%13=CC=CC=N%13)C=CC(=C%14)Cl.[Br-].[Cl-].[Cl-]
• InChI: 1S/C17H21NO4.2C17H23NO3.C16H19ClN2.C9H13NO2.C9H13NO.C4H4O4.BrH.2ClH/c1-18-13-6-9(7-14(18)16-15(13)22-16)10-4-2-3-5-11(10)12(8-19)17(20)21;2*1-18-14-5-6-15(18)9-13(8-14)11-3-2-4-12(7-11)16(10-19)17(20)21;1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;1-10-6-9(12)7-3-2-4-8(11)5-7;1-7(10)9(11)8-5-3-2-4-6-8;5-3(6)1-2-4(7)8;;;/h2-5,9,12-16,19H,6-8H2,1H3,(H,20,21);2*2-4,7,13-16,19H,5-6,8-10H2,1H3,(H,20,21);3-9,11,15H,10,12H2,1-2H3;2-5,9-12H,6H2,1H3;2-7,9,11H,10H2,1H3;1-2H,(H,5,6)(H,7,8);3*1H/b;;;;;;2-1+;;;/t9?,12?,13-,14+,15-,16+;;;;9-;7-,9?;;;;/m....01..../s1
• InChIKey: GPSHTMFXBCOKTQ-OXJSRIFESA-N

Properties

• Boiling point: 484.4°C at 760 mmHg (Cal.)
• Flash point: 246.7°C (Cal.)