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Product Overview

Product Code

TRC-C988893

Product Format

Neat

Molecular Formula

C62¹³C2H109D4N11O13

Molecular Weight

1250.65

Product Categories

TRC, Amino acids & derivatives, Additional Neuro Products, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

83602-41-9

Documentation

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Product Information

Chemical Data

Analyte Name

Cyclosporin A-13C2,d4 Acetate

Molecular Formula

C62¹³C2H109D4N11O13

Molecular Weight

1250.65

Accurate Mass

1249.88

SMILES

CN(C(C(N(C(C(N(C(C(NC(C(N(CC1=O)C)=O)CC)=O)C(C(C/C=[13C]([13C]([2H])([2H])[2H])\[2H])C)OC(C)=O)C)=O)C(C)C)C)=O)CC(C)C)C(C(N(C(C(NC(C(NC(C(N(C(C(NC(C(CC(C)C)N1C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)C)=O)C)CC(C)C)=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+/i1+1D3,26+1D

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--1l1,12l1-dodeca-2,4,6,8,10-pentayne (1/2)

Unlabelled CAS Number

83602-41-9

SIL Type

Carbon, Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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