For research use only. Not for therapeutic Use.
Nb-Methyl cyanocobalamin（Cat No.:R028120）is a methylated derivative of cyanocobalamin, a synthetic form of vitamin B12. In this compound, a methyl group is attached to the nitrogen atom at the “b” position of the corrin ring system. Like other cobalamin derivatives, it contains a central cobalt ion coordinated with a corrin ring and a cyano group. Nb-Methyl cyanocobalamin is primarily used in biochemical and nutritional research to study vitamin B12 metabolism, transport, and function. It may also serve as a precursor or analog in the development of B12-based diagnostics or therapeutics.
| CAS Number | 38218-51-8 |
| Synonyms | Nb-methyl-Cobinamide Cyanide 3’-Ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole Dihydrogen Phosphate (Ester), Inner Salt; 34-Methylcyanocobalamin; Cyanocobalamin Impurity G |
| Molecular Formula | C₆₄H₉₀CoN₁₄O₁₄P |
| Purity | ≥95% |
| Storage | Desiccate at -20C |
| 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 |
| InChI | 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 |
| InChIKey | SKGKNPBFHOAFCU-CSMDKWHXSA-L |
| SMILES | 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] |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
