Chemical Compound

cyanocobalamin

CAS Registry Number 68-19-9
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cyanocobalamin chemical structure
Primary Record

cyanocobalamin

In stock
8,576 g
Purity
99.7 %
CAS
68-19-9

Compound Identifiers & Properties

CAS
68-19-9
PubChem CID
6474318
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@H](O3)CO)OP(=O)([O-])OC(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)N)(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
C/C1=C2/[N-]C([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)([O-])OC2C(O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[C-]#N.[Co+3]

Names & Synonyms

  • cyanocobalamin
  • Erythrotin
  • Mecobalamin
  • Anacobin
  • Berubigen
  • Cytobion
  • Megabion
  • Nagravon
  • Rubripca
  • Vitarubin
  • Depinar
  • Ducobee
  • Hepavis
  • Poyamin
  • Sytobex
  • Vibalt
  • vitamin B12
  • CN-Cbl
  • Cyano-B12
  • NSC80365
  • 3-[tris(2-amino-2-oxo-ethyl)-bis(3-amino-3-oxo-propyl)-cyano-dihydroxy-(hydroxymethyl)-undecamethyl-dioxo-[?]yl]propanamide
  • 68-19-9