Details of the Drug

General Information of Drug (ID: DMGZEE9)

Drug Name

Cyanocobalamin Co-60

Synonyms

Rubratope-60

Indication

Disease Entry	ICD 11	Status	REF
Vitamin B12 deficiency	5B5F	Approved	[1]
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Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C126H177Cl2Co3N28O28P2+2
Canonical SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5=NC4=C(C6=NC(=CC7=NC(=C(C8=NC5(C(C8CCC(=O)N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N)C(C6CCC(=O)N)(C)C)C)CC(=O)N)C)O.[C-]#N.[C-]#N.Cl[Co]Cl.[Co+2].[Co+3]
InChI: 1S/C62H90N13O14P.C62H88N13O14P.2CN.2ClH.3Co/c2*1-29-20-39-40(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;2*1-2;;;;;/h20-21,23,28,31,34-37,41,52-53,56-57,71,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);20-21,23,28,31,34-37,41,52-53,57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);;;2*1H;;;/q;;2*-1;;;+3;2*+2/p-3/b38-23-,50-32-,55-33-;42-23-,54-32-,55-33-;;;;;;;/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-;31?,34?,35?,36?,37?,41-,52?,53?,57+,59?,60?,61?,62?;;;;;;;/m01......./s1/i;;;;;;1+1;;
InChIKey: PJHYEMLVIZVDIW-ACDNXVHASA-K

Cross-matching ID

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015