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124122-91-4 etomoxir-coa

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Product Name Etomoxir-coa
CAS No. 124122-91-4
Synonyms etomoxiryl-coenzyme A; S-{(9R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbothioate (non-preferred name)
InChI InChI=1/C36H53ClN7O19P3S/c1-35(2,29(47)32(48)40-13-11-25(45)39-14-16-67-34(49)36(19-58-36)12-5-3-4-6-15-57-23-9-7-22(37)8-10-23)18-60-66(55,56)63-65(53,54)59-17-24-28(62-64(50,51)52)27(46)33(61-24)44-21-43-26-30(38)41-20-42-31(26)44/h7-10,20-21,24,27-29,33,46-47H,3-6,11-19H2,1-2H3,(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t24-,27-,28-,29+,33-,36?/m1/s1
Molecular Formula C36H53ClN7O19P3S
Molecular Weight 1048.2808
Density 1.73g/cm3
Refractive index 1.687