Perdolan
[CAS# 102578-49-4]

Identification

• Name: Perdolan
• Synonyms: Perdolan
• Molecular Formula: C₅₆H₇₂Br₂N₁₀O₁₉P
• Molecular Weight: 1380.02
• CAS Registry Number: 102578-49-4
• SMILES: N2(C1=C([N](C=N1)C)C(=O)N(C2=O)C)C.N(C3=CC=C(O)C=C3)C(=O)C.[C@]467[C@H]8OC5=C(OC)C=CC(=C45)C[C@@H](N(CC6)C)[C@@H]7C=C[C@@H]8O.C(C(Br)(C(=O)NC(=O)N)CC)C.CC(C(Br)C(=O)NC(=O)N)C.O=[P]([O-])([O-])[O-].C(=O)(O)C9=CC=CC=C9OC(=O)C
• InChI: 1S/C18H21NO3.C9H8O4.C8H10N4O2.C8H9NO2.C7H13BrN2O2.C6H11BrN2O2.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-6(10)9-7-2-4-8(11)5-3-7;1-3-7(8,4-2)5(11)10-6(9)12;1-3(2)4(7)5(10)9-6(8)11;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;2-5H,1H3,(H,11,12);4H,1-3H3;2-5,11H,1H3,(H,9,10);3-4H2,1-2H3,(H3,9,10,11,12);3-4H,1-2H3,(H3,8,9,10,11);(H3,1,2,3,4)/p-3/t11-,12+,13-,17-,18-;;;;;;/m0....../s1
• InChIKey: KMVAUHKJKNQFNA-JZBXBKNXSA-K

Properties

• Boiling point: 462°C at 760 mmHg (Cal.)
• Flash point: 233.2°C (Cal.)