Tricyclic cyclosporin A
[CAS# 153475-57-1]

Identification

• Name: Tricyclic cyclosporin A
• Synonyms: Tricyclic Cyclosporin A
• Molecular Formula: C₆₄H₁₁₁N₁₁O₁₂S
• Molecular Weight: 1258.71
• CAS Registry Number: 153475-57-1
• SMILES: N12C3C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(O)C(C\C=C\C)C)C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C1=O)CCC2SC3)CC(C)C)C)C(C)C)CC(C)C)C)C)CC)C)C(C)C)C)CC(C)C)C)CC(C)C)C
• InChI: 1S/C64H111N11O12S/c1-23-25-26-41(15)54(77)53-57(80)65-42(24-2)58(81)68(16)33-49(76)69(17)44(29-35(3)4)56(79)67-51(39(11)12)63(86)70(18)45(30-36(5)6)55(78)66-43-27-28-50-75(59(43)82)48(34-88-50)62(85)72(20)46(31-37(7)8)60(83)71(19)47(32-38(9)10)61(84)73(21)52(40(13)14)64(87)74(53)22/h23,25,35-48,50-54,77H,24,26-34H2,1-22H3,(H,65,80)(H,66,78)(H,67,79)/b25-23+
• InChIKey: MUVQWTITGAVGIC-WJTDDFOZSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 1326.539°C at 760 mmHg (Cal.)
• Flash point: 756.064°C (Cal.)