Chemical Compound

Cyanocobalamin-b-carboxylic acid

CAS Registry Number 38218-77-8
Back to search Request a Quote
Cyanocobalamin-b-carboxylic acid chemical structure
Primary Record

Cyanocobalamin-b-carboxylic acid

In stock
8,469 g
Purity
99.8 %
CAS
38218-77-8

Compound Identifiers & Properties

CAS
38218-77-8
PubChem CID
169436785
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([C@@H](C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)O)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
Canonical SMILES
CC1=C2[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(=O)O)[C@]2(C)CC(N)=O.[C-]#N.[Co+3]

Names & Synonyms

  • Cyanocobalamin-b-carboxylic acid
  • Cyanocobalaminb-carboxylic Acid
  • 38218-77-8
  • Cobinic acid-acdeg-pentamide, Co-(cyano-?C)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-?N3); Cobinic acid-acdeg-pentamide, cyanide phosphate, 3'-ester with 5,6-dimethyl-1-a-D-ribofuranosylbenzimidazole, inner salt (7CI); Cobinic acid-acdeg-pentamide, cyanide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole; CBC 195; Cyanocobalamin-b-carboxylic acid; 32-Carboxycyanocobalamin