Molecular Weight: 1188.61
Molecular Formula: C61H109N11O12
Canonical SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C(C)C)CC(C)C)C)C
InChI: InChI=1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-56(79)64-42(25-2)58(81)67(18)32-47(73)68(19)44(29-34(5)6)54(77)66-48(37(11)12)55(78)65-43(28-33(3)4)53(76)62-40(16)52(75)63-41(17)57(80)69(20)45(30-35(7)8)59(82)70(21)46(31-36(9)10)60(83)71(22)49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,77)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1
InChIKey: FWMBRFVXLUJFCT-WKHWYDSQSA-N
Boiling Point: 1306.2±65.0 °C at 760 mmHg
Melting Point: 177-179 °C
Purity: 95%
Solubility: Soluble in Chloroform, Ether, Methanol, Hexane (Poorly), Water (Poorly)
Storage: Store at -20 °C, keep away from light
Synonyms: Ciclosporin Impurity D; 1,11-Anhydro[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-L-leucine]; [Leu11]Ciclosporin A; Ciclosporin U; Ciclosporin EP Impurity D; 11-L-Leucine-Cyclosporin A; Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-L-leucyl); 11-L-Leucinecyclosporin A; Cyclosporine EP Impurity D; Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoyl]-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]
DescriptionCyclosporin U is an impurity of cyclosporin, which is a calcineurin phosphatase pathway inhibitor, used as an immunosuppressant drug to prevent rejection in organ transplantation.
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