methylcobalamine chlorpalladate
[CAS# 58220-71-6]

Identification

• Name: methylcobalamine chlorpalladate
• Synonyms: Mecbl.pdcl3; Methylcobalamin chlorpalladate
• Molecular Formula: C₆₃H₉₃Cl₃CoN₁₃O₁₅PPd
• Molecular Weight: 1575.18
• CAS Registry Number: 58220-71-6
• SMILES: [Co+3].[Pd+2].[Cl-].[Cl-].[Cl-].O=C(N)CC8(C=1\N=C(\C=C7/N=C(/C(=C3\[N-]C(C2(/N=C(/C=1C)C(CCC(=O)N)C2(CC(=O)N)C)C)C(CC(=O)N)C3(C)CCC(=O)NCC(OP([O-])(=O)OC6C(OC(n5cnc4cc(c(cc45)C)C)C6O)CO)C)C)C(CCC(=O)N)C7(C)C)C8CCC(=O)N)C.O.[CH3-]
• InChI: 1S/C62H90N13O14P.CH3.3ClH.Co.H2O.Pd/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;;;;;;;/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);1H3;3*1H;;1H2;/q;-1;;;;+3;;+2/p-5
• InChIKey: SKRWBMBSOOYIIL-UHFFFAOYSA-I