Cyanocobalamin Impurity H
[CAS# 41325-63-7]

Identification

• Name: Cyanocobalamin Impurity H
• Synonyms: cobalt(3+), 3-[(1R,2S,3S,5Z,7S,8R,9Z,13S,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-17-[3-[[(2R)-2-[[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxypropyl]amino]-3-oxopropyl]-3,13-bis(3-imino-3-oxidopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanimidate;cyanide
• Molecular Formula: C₆₃H₈₈CoN₁₄O₁₄P
• Molecular Weight: 1355.37
• CAS Registry Number: 41325-63-7
• SMILES: CC1=CC2=C(C=C1C)[N+](=CN2)[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](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@H](/C(=C/C8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=N)[O-])/N7)CCC(=N)[O-])(C)CC(=O)N)/C)CCC(=N)[O-])(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]