Chemical Compound

HYDROXOCOBALAMIN

CAS Registry Number 13422-51-0
HYDROXOCOBALAMIN chemical structure
Primary Record

HYDROXOCOBALAMIN

In stock
822 g
Purity
99.2 %
CAS
13422-51-0

Compound Identifiers & Properties

CAS
13422-51-0
PubChem CID
146156970
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(=N6)C(=C7[C@@](C(C(=N7)C=C8C(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.O.[Co+2]
Canonical SMILES
CC1=C2[N-]C(C(CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)([O-])OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=C1C(CCC(N)=O)C4(C)C)C(CCC(N)=O)[C@]3(C)CC(N)=O)C(CCC(N)=O)[C@]2(C)CC(N)=O.O.[Co+2]

Names & Synonyms

  • HYDROXOCOBALAMIN
  • 13422-51-0