Chemical Compound

cobalamin

CAS Registry Number 68-19-9
cobalamin chemical structure
Primary Record

cobalamin

In stock
8,576 g
Purity
99.7 %
CAS
68-19-9

Compound Identifiers & Properties

CAS
68-19-9
PubChem CID
145705982
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.[C-]#N.[Co+3]
Canonical SMILES
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.[C-]#N.[Co+3]

Names & Synonyms

  • cobalamin
  • cyanocobalamin
  • vitamin B12
  • Cyanocob(III)alamin
  • Cyanocobalamin;Cyanocob(III)alamin
  • 68-19-9
  • 5,6-Dimethyl-1-(3-o-phosphono-alpha-d-ribofuranosyl)-1h-benzimidazolmonoes
  • 13408-78-1