alpha-(alpha-5,6-Dimethylbenzimidazolyl)-beta-Cyanocobamide
[CAS# 143481-69-0]

Identification

• Name: alpha-(alpha-5,6-Dimethylbenzimidazolyl)-beta-Cyanocobamide
• Synonyms: Coalpha-(Alpha-5,6-Dimethylbenzimidazolyl)-Cobeta-Cyanocobamide
• Molecular Formula: C₆₀H₈₄CoN₁₃O₁₄P
• Molecular Weight: 1301.31
• CAS Registry Number: 143481-69-0
• SMILES: [Co+3].N1=C7C(C(C1(C2N=C(C(C2CC(=O)N)(CCC(=O)NCC(O[P](OC3C(O)C(OC3CO)[N]5C4=CC=CC=C4N=C5)([O-])=O)C)C)C(=C6N=C(C(C6CCC(=O)N)(C)C)[CH-]C8=NC(=C7C)C(C8CCC(=O)N)(CC(=O)N)C)C)C)(CC(=O)N)C)CCC(=O)N
• InChI: 1S/C60H85N13O14P.Co/c1-29(86-88(83,84)87-51-39(27-74)85-55(50(51)82)73-28-68-36-12-10-11-13-38(36)73)26-67-47(81)20-21-57(6)35(22-44(64)78)54-60(9)59(8,25-46(66)80)34(16-19-43(63)77)49(72-60)31(3)53-58(7,24-45(65)79)32(14-17-41(61)75)37(69-53)23-40-56(4,5)33(15-18-42(62)76)48(70-40)30(2)52(57)71-54;/h10-13,23,28-29,32-35,39,50-51,54-55,74,82H,14-22,24-27H2,1-9H3,(H2,61,75)(H2,62,76)(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H,67,81)(H,83,84);/q-1;+3/p-1
• InChIKey: NFSTYKGQPABURA-UHFFFAOYSA-M