Chemical Compound

Hydroxocobalamin acetate

CAS Registry Number 22465-48-1
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Hydroxocobalamin acetate chemical structure
Primary Record

Hydroxocobalamin acetate

In stock
8,316 g
Purity
99.8 %
CAS
22465-48-1

Compound Identifiers & Properties

CAS
22465-48-1
PubChem CID
169449905
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([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.CC(=O)O.[Co]
Canonical SMILES
CC(=O)O.CC1=C2[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=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.[Co]

Names & Synonyms

  • Hydroxocobalamin acetate
  • ACETATOCOBALAMIN
  • HYDROXOCOBALAMINACETATE
  • SCHEMBL29639793
  • MFCD00082532
  • FH23894
  • SY112115
  • 22465-48-1
  • Cobinamide acetate (salt) dihydrogen phosphate (ester) inner salt 3'-ester with 5 ,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole