CAS Number
Molecular Formula
C64H90CoN14O14P
Product format
Neat
Molecular Weight
1369.41
Storage
-20°C
Shipping
Room Temperature
API Family
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 and 6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3)
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 and 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
