CAS RN 38218-77-8
CAS RN 38218-77-8
Cyanocobalamin-b-carboxylic Acid, TRC
CAS: 38218-77-8 Molecular Formula: C63 H87 Co N13 O15 P Molecular Weight (g/mol): 1356.35 Synonym: Cobinic acid-acdeg-pentamide, Co-(cyano-κC)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3),Cobinic acid-acdeg-pentamide, cyanide phosphate, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole, inner salt (7CI),Cobinic acid-acdeg-pentamide, cyanide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole,CBC 195,Cyanocobalamin-b-carboxylic acid,32-Carboxycyanocobalamin IUPAC Name: 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 SMILES: C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(=O)N)[C@H]3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N([C@]3(C)[C@@](C)(CC(=O)N)[C@@H]9CCC(=O)O)[Co+]468(C#N)N%10=CN([C@H]%11O[C@H](CO)[C@@H](OP(=O)([O-])O1)[C@H]%11O)c%12cc(C)c(C)cc%10%12)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)C(C)(C)[C@@H]5CCC(=O)N