Chemical Compound

Hydroxocobalamin monohydrochloride

CAS Registry Number 58288-50-9
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Hydroxocobalamin monohydrochloride chemical structure
Primary Record

Hydroxocobalamin monohydrochloride

In stock
8,968 g
Purity
99.3 %
CAS
58288-50-9

Compound Identifiers & Properties

CAS
58288-50-9
PubChem CID
137699176
SMILES
CC1CC2C(CC1C)N(C[N-]2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(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.[OH-].Cl.[Co+3]
Canonical SMILES
C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(N5C[N-]C6CC(C)C(C)CC65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.Cl.[Co+3].[OH-]

Names & Synonyms

  • Hydroxocobalamin monohydrochloride
  • 58288-50-9
  • 59461-30-2
  • Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-esterwith (5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3),hydrochloride