Cyclosporine Metabolite M21
[CAS# 89270-23-5]

Identification

• Name: Cyclosporine Metabolite M21
• Synonyms: Csa M21; Cyclosporin metabolite M21
• Molecular Formula: C₆₁H₁₀₉N₁₁O₁₂
• Molecular Weight: 1188.58
• CAS Registry Number: 89270-23-5
• SMILES: O=C1NC(C(=O)N(C)CC(=O)NC(C(=O)NC(C(=O)N(C)C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C)C(C(=O)N(C)C1C(O)C(C)C/C=C/C)C(C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C(C)C)CC(C)C)CC
• InChI: 1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-55(78)65-42(25-2)57(80)67(18)32-47(73)64-43(28-33(3)4)53(76)66-48(37(11)12)60(83)68(19)44(29-34(5)6)54(77)62-40(16)52(75)63-41(17)56(79)69(20)45(30-35(7)8)58(81)70(21)46(31-36(9)10)59(82)71(22)49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,77)(H,63,75)(H,64,73)(H,65,78)(H,66,76)/b26-24+
• InChIKey: MIIRLHRXLLVIMF-SHHOIMCASA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 1306.197°C at 760 mmHg (Cal.)
• Flash point: 743.761°C (Cal.)