Chemical Compound

(Carboxymethyl)cobalamin

CAS Registry Number 14517-61-4
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(Carboxymethyl)cobalamin chemical structure
Primary Record

(Carboxymethyl)cobalamin

In stock
1,727 g
Purity
99.7 %
CAS
14517-61-4

Compound Identifiers & Properties

CAS
14517-61-4
PubChem CID
54695538
SMILES
CC1=CC2=C(C=C1C)N(C=N2)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.CC(=O)[O-].[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(n5cnc6cc(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.CC(=O)[O-].[Co+3]

Names & Synonyms

  • (Carboxymethyl)cobalamin
  • Co-(Carboxymethyl)cobalamin
  • C64H91CoN13O16P
  • C64-H91-Co-N13-O16-P
  • 14517-61-4
  • Cobinamide, Co-(carboxymethyl) deriv., dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole