Chemical Compound

Cyanocobalamin-b-carboxylic acid

CAS Registry Number 38218-77-8
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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
6449892
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)O)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[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(=O)O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[C-]#N.[Co+3]

Names & Synonyms

  • Cyanocobalamin-b-carboxylic acid
  • AC1O6ABU
  • Cyanocobalamin-b-monocarboxylic acid
  • CID6449892
  • FC178216
  • 38218-77-8
  • B1370-337354
  • 3'-Ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole Cobinic acid-acdeg-pentamide Cyanide Phosphate Inner Salt
  • cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12-bis(3-amino-3-oxopropyl)-17-(2-carboxyethyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate; cyanide