Chemical Compound

Hydroxocobalamin acetate

CAS Registry Number 22465-48-1
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
146158238
SMILES
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4(C(C5[C@]6([C@@](C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)O.[Co]
Canonical SMILES
CC(=O)O.CC1=C2N=C(C=C3N=C(C(C)=C4[N-][C@@](C)(C5N=C1[C@](C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)[C@@](C)(CC(N)=O)C4CCC(N)=O)[C@@](C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O.[Co]

Names & Synonyms

  • Hydroxocobalamin acetate
  • Hydroxocobalamin (acetate)
  • 22465-48-1