Cyclosporin Lactam(3,4)
[CAS# 115141-85-0]

Identification

• Name: Cyclosporin Lactam(3,4)
• Synonyms: 29-Ethyl-26-[(E)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-2,8,17,20-Tetraisobutyl-5,23-Diisopropyl-7,11,14,16,19,22,25,31-Octamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazabicyclo[30.3.1]Hexatriacontane-3,6,9,12,15,18,21,24,27,30,36-Undecone; 29-Ethyl-26-[(E)-1-Hydroxy-2-Methylhex-4-Enyl]-2,8,17,20-Tetraisobutyl-5,23-Diisopropyl-7,11,14,16,19,22,25,31-Octamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazabicyclo[30.3.1]Hexatriacontane-3,6,9,12,15,18,21,24,27,30,36-Undecone; 29-Ethyl-26-[(E)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-7,11,14,16,19,22,25,31-Octamethyl-2,8,17,20-Tetrakis(2-Methylpropyl)-5,23-Di(Propan-2-Yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazabicyclo[30.3.1]Hexatriacontane-3,6,9,12,15,18,21,24,27,30,36-Undecone
• Molecular Formula: C₆₄H₁₁₃N₁₁O₁₂
• Molecular Weight: 1228.66
• CAS Registry Number: 115141-85-0
• SMILES: C(C1N2C(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NC1=O)C(C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)C)C(O)C(C\C=C\C)C)CC)C)CCC2)C(C)C
• InChI: 1S/C64H113N11O12/c1-24-26-28-41(15)53(76)52-57(80)67-44(25-2)59(82)69(18)45-29-27-30-75(62(45)85)47(32-36(5)6)56(79)68-50(39(11)12)63(86)70(19)46(31-35(3)4)55(78)65-42(16)54(77)66-43(17)58(81)71(20)48(33-37(7)8)60(83)72(21)49(34-38(9)10)61(84)73(22)51(40(13)14)64(87)74(52)23/h24,26,35-53,76H,25,27-34H2,1-23H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79)/b26-24+
• InChIKey: QSIFPOPKQLQWNU-SHHOIMCASA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 1306.98°C at 760 mmHg (Cal.)
• Flash point: 744.235°C (Cal.)