ABC00435IV

34-MethylcyanocobalaminI

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 Cyanocobalamin’s 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.

On Request
Molecular Formula C63H90Co3N14O14P-2
Molecular Weight 1475.2000
CAS Number 38218-51-8 βœ“ Verified
PubChem CID 123133537 β†—
Purity N/A
Product Type API Impurity
Parent Drug Cyanocobalamin
Lead Time On Request
IUPAC Name 1-[(3S,4S,5R)-5-[(3R,4R,5Z)-5-[1-[(3S,5Z)-5-[(3S)-6-amino-3-(3-amino-3-oxopropyl)-2-azanidylidene-4-methyl-6-oxohexylidene]-3-(3-amino-3-oxopropyl)-4,4-dimethyl-3H-pyrrol-2-yl]ethylidene]-3-(2-amino-2-oxoethyl)-4-[3-[[(2R)-2-[[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxypropyl]amino]-3-oxopropyl]-4-methylpyrrolidin-1-id-2-yl]-4-(2-amino-2-oxoethyl)-4,5-dimethyl-3-[3-(methylamino)-3-oxopropyl]-3H-pyrrol-2-yl]ethylidenecobalt;cobalt;cobalt(3+);cyanide

πŸ“ Synonyms

34-Methylcyanocobalamin 38218-51-8 b-N-methylcyanocobalamin D8OB9LG813 CYANOCOBALAMIN IMPURITY C [EP IMPURITY] 34-Methylcyanocobalamin (constituent of cyanocobalamin) [DSC] Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyano-b-N-methylcobamide COBINAMIDE, CO-(CYANO-.KAPPA.C)-NB-METHYL-, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH (5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3)

πŸ”¬ Chemical Identifiers

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C([N-]/C4=C(/C)\C5=N/C(=C\C(=[N-])[C@@H](CCC(=O)N)[C-](C)CC(=O)N)/C([C@@H]5CCC(=O)N)(C)C)[C@]6([C@@]([C@@H](C(=N6)C(=[Co])C)CCC(=O)NC)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co].[Co+3]
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
SKGKNPBFHOAFCU-CSMDKWHXSA-L

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