34-MethylcyanocobalaminI is a structurally modified cobalamin derivative featuring a methyl group substitution at the 34-position of the corrinoid core, adjacent to the trivalent cobalt ion coordinated with a cyanide ligand. This compound retains the parent Cyanocobalaminβs characteristic corrin ring system, ribitol phosphate side chain, and cyanide functionality but introduces steric hindrance and altered electronic properties due to the methyl appendage. The substitution likely arises during synthetic pathways involving alkylative modifications of the corrin ring. This impurity serves as an HPLC reference standard for quantifying process-related deviations in Cyanocobalamin API synthesis.
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InChI=1S/C62H92N13O14P.CN.3Co/c1-13-41-37(16-19-51(82)69-12)61(10,27-50(68)81)62(11,74-41)57-39(25-49(67)80)60(9,56(73-57)35(6)53-38(15-18-47(65)78)59(7,8)45(72-53)26-40(63)36(14-17-46(64)77)33(4)24-48(66)79)21-20-52(83)70-28-34(5)88-90(85,86)89-55-44(29-76)87-58(54(55)84)75-30-71-42-22-31(2)32(3)23-43(42)75;1-2;;;/h22-23,26,30,34,36-39,44,54-55,57-58,76,84H,14-21,24-25,27-29H2,1-12H3,(H14-,63,64,65,66,67,68,69,70,72,73,77,78,79,80,81,82,83,85,86);;;;/q-2;-1;;;+3/p-2/t34-,36+,37-,38-,39+,44-,54-,55-,57?,58+,60-,61+,62+;;;;/m1..../s1
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