Cyclosporin A-d4 Acetate (Major)

Analyte Name

Cyclosporin A-d4 Acetate

Molecular Formula

C64H109D4N11O13

Molecular Weight

1248.67

Accurate Mass

1247.88

SMILES

CN(C(C(CC(C)C)N(C)C(C(C)NC(C(C)NC(C(CC(C)C)N(C)C(C(C(C)C)NC(C(N1C)CC(C)C)=O)=O)=O)=O)=O)=O)C(CC(C)C)C(N(C)C(C(C)C)C(N(C)C(C(OC(C)=O)C(C)C/C=C([2H])/C([2H])([2H])[2H])C(NC(CC)C(N(C)CC1=O)=O)=O)=O)=O

InChI

InChI=1S/C64H113N11O13/c1-26-28-29-41(15)54(88-44(18)76)53-58(81)67-45(27-2)60(83)69(19)34-50(77)70(20)46(30-35(3)4)57(80)68-51(39(11)12)63(86)71(21)47(31-36(5)6)56(79)65-42(16)55(78)66-43(17)59(82)72(22)48(32-37(7)8)61(84)73(23)49(33-38(9)10)62(85)74(24)52(40(13)14)64(87)75(53)25/h26,28,35-43,45-49,51-54H,27,29-34H2,1-25H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b28-26+/i1D3,26D

IUPAC

(E)-1-(5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-2-methylhex-4-en-1-yl-5,6,6,6-d4 acetate

Unlabelled CAS Number

83602-41-9

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)