Chemical Compound

Hydroxocobalamin hydrochloride

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

Hydroxocobalamin hydrochloride

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

Compound Identifiers & Properties

CAS
58288-50-9
PubChem CID
163199035
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)CCC(=O)N)C)CC(=O)N)C)O.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(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CCC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.Cl.[Co+3]

Names & Synonyms

  • Hydroxocobalamin hydrochloride
  • 58288-50-9