Silentan
[CAS# 79084-81-4]

Identification

• Name: Silentan
• Synonyms: Silentan
• Molecular Formula: C₁₀₃H₁₁₁ClN₁₆O₂₃
• Molecular Weight: 1976.56
• CAS Registry Number: 79084-81-4
• SMILES: N2(C1=C([N](C=N1)C)C(=O)N(C2=O)C)C.[C@]78(O[C@@](NC(=O)[C@@H]3C[C@H]4[C@H](N(C3)C)CC5=C[NH]C6=CC=CC4=C56)(C(=O)N7[C@H](C(=O)N9[C@H]8CCC9)CC%10=CC=CC=C%10)C)O.[C@]%15%16(O[C@@](NC(=O)[C@@H]%11C[C@H]%12[C@H](N(C%11)C)CC%13=C[NH]C%14=CC=CC%12=C%13%14)(C(=O)N%15[C@H](C(=O)N%17[C@H]%16CCC%17)CC%18=CC=CC=C%18)C)O.[C@H](O)([C@H](O)C(=O)O)C(=O)O.C%19=C%20C(=CC=C%19Cl)N(C(=O)CN=C%20C%21=CC=CC=C%21)C.O=C(O)C%22=CC=CC=C%22OC(=O)C
• InChI: 1S/2C33H37N5O5.C16H13ClN2O.C9H8O4.C8H10N4O2.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;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;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);2-9H,10H2,1H3;2-5H,1H3,(H,11,12);4H,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;;;;1-,2-/m11...0/s1
• InChIKey: ZTNPZRFNLXIVKR-YXFIHQFASA-N

Properties

• Boiling point: 899.5°C at 760 mmHg (Cal.)
• Flash point: 497.8°C (Cal.)