Dicopac

InChI: InChI=1/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;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/fC62H88N13O14P.CN.Co/h69H,63-68H2;;/q-2;;m/b42-23-,54-32-,55-33-;;

InChIKey: InChIKey=RMRCNWBMXRMIRW-JOFVFTMXDB
SMILES: [H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C5=[N]6C(=CC7=[N]8C(=C(C)C9=[N]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]9CCC(N)=O)[Co+3]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(N)=O)[C@@H]7CCC(N)=O)C(C)(C)[C@@H]5CCC(N)=O

CAS number 68-19-9

Names:
    CN-Cbl
    CO-CYANOCOBALAMIN
    Cyanocobalamin
    Cyanocob(III)alamin
    cyanocob(III)alamin
    Cyanocob(III)alamin
    cyanocob(III)alamin
    Dicopac
    vitamin B-12
    Vitamin B12 complex

Registries:
    PubChem CID 6433712
    CAS 68-19-9 (from NIST)
    ChEBI 17439
    chemPDB CNC
    Gmelin 249901
    Gmelin 457955
    Kegg C02823
    PubChem ID 5771