Chemical Compound

50-Methylcyanocobalamin

CAS Registry Number 15130-04-8
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50-Methylcyanocobalamin chemical structure
Primary Record

50-Methylcyanocobalamin

In stock
6,288 g
Purity
98.6 %
CAS
15130-04-8

Compound Identifiers & Properties

CAS
15130-04-8
PubChem CID
168429517
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](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)NC)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
Canonical SMILES
CNC(=O)CC[C@@H]1C2=N/C(=C\C3=N/C(=C(/C)C4=N[C@@](C)(C5[N-]/C(=C\2C)[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]2CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C1(C)C.[C-]#N.[Co+3]

Names & Synonyms

  • 50-Methylcyanocobalamin
  • NQ8RK5PLX8
  • Cyanocobalamin-e-methylamide
  • CYANOCOBALAMIN IMPURITY G [EP IMPURITY]
  • 15130-04-8
  • Cobinamide, Co-(cyano-kappaC)-Ne-methyl-, dihydrogen phosphate (ester), inner salt, 3' ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
  • Cobinamide, Ne-methyl-, cyanide, dihydrogen phosphate (ester), inner salt, 3' ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
  • N/A