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ChemicalBook--->CAS DataBase List--->59865-16-6

59865-16-6

59865-16-6 Structure

59865-16-6 Structure
IdentificationBack Directory
[Name]

Isocyclosporin A
[CAS]

59865-16-6
[Synonyms]

CS-2544
IsoCyclosporine
isocyclosporin A
Isocyclosporine A
Cyclosporin A Isomer
Cyclosporin Impurity 9
Isocyclosporin A (9CI)
Cyclosporine Impurity 9
Isocyclosporine Impurity A
Cyclosporin Impurity 9(Isocyclosporin A)
Cyclo[L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-[(3R,4R)-3-hydroxy*-N-methyl-5-[(E)-1-propenyl]-L-Leu-]]
(2S,3R,4R,6E)-3-Hydroxy-4-Methyl-2-(MethylaMino)-6-octenoyl-(2S)-2-aMinobutanoyl-N-Methylglycyl-N-Methyl-L-leucyl-L-valyl-N-Methyl-L-leucyl-L-alanyl-D-alanyl-N-Methyl-L-leucyl-N-Methyl-L-leucyl-N-Methyl-L-valine (111)-Lactone
L-Valine, (2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-, (11→1)-lactone
30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1-oxa- 4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone
[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine theta1-lactone
Isocyclosporine A/(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (111)-Lactone
L-Valine, N-(3-hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl)-L-(alpha-aminobutyryl)-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-, theta1-1actone, (2S-(2R*,3S*,4S*,6E))-
[Molecular Formula]

C62H111N11O12
[MDL Number]

MFCD11111450
[MOL File]

59865-16-6.mol
[Molecular Weight]

1202.61
Chemical PropertiesBack Directory
[Melting point ]

148-152°C
[Boiling point ]

1280.5±65.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.42±0.70(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChIKey]

QEKLELUAISGHEL-VWEOAMRINA-N
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Cyclosporin A (C988900) impurity.
[Uses]

Isocyclosporin A is a rearranged degradation product formed by acid treatment of cyclosporin A under aqueous and non-aqueous conditions. This rearrangement has been used as the basis of a HPLC fluorescence for quantifying cyclosporin A. The pharmacology of isocyclosporin A has received little attention.
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