Vitamin B12-58Co
[CAS# 18195-32-9]

Identification

• Name: Vitamin B12-58Co
• Synonyms: Radio-Cyanocobalaminum (58 Co); Vitamin B12 - 58Co; Vitamin B12 Containing Radioactive Cobalt ((Sup 58)Co)
• Molecular Formula: C₆₃H₈₈CoN₁₄O₁₄P
• Molecular Weight: 1355.38
• CAS Registry Number: 18195-32-9
• SMILES: [Co++]|[C-]#N.N1=C3[C@@](C(C1[C@@]2(N=C([C@H]([C@@]2(CC(=O)N)C)CCC(=O)N)C(=C5[N-]C(=CC4=NC(=C3C)C(C4(C)C)CCC(=O)N)[C@H]([C@@]5(CC(=O)N)C)CCC(=O)N)C)C)CC(=O)N)(CCC(=O)NCC(O[P](O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)[N]7C8=C(N=C7)C=C(C(=C8)C)C)([O-])=O)C)C
• InChI: 1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+2/p-2/t31?,34-,35?,36-,37?,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1
• InChIKey: AGVAZMGAQJOSFJ-FIJLCNGJSA-L