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CAS 38218-51-8

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Cobinamide, Co-(cyano-κC)-Nb-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)

Description:
Cobinamide, with the CAS number 38218-51-8, is a complex chemical compound characterized by its unique structure that includes a cobalt ion coordinated with a cyano group and a methyl group, along with a dihydrogen phosphate ester. This compound is an inner salt, indicating that it contains both cationic and anionic components within the same molecule, which contributes to its solubility and stability in various environments. The presence of the 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole moiety suggests biological relevance, as this structure is often associated with vitamin B12 derivatives and plays a role in cellular metabolism. Cobinamide is known for its potential applications in biochemistry and medicine, particularly in relation to vitamin B12 metabolism and its role in cellular processes. Its properties, such as solubility, stability, and reactivity, are influenced by the coordination of the cobalt ion and the presence of functional groups, making it a subject of interest in both synthetic and medicinal chemistry.
Formula:C64H90CoN14O14P
InChI:InChI=1S/C63H92N13O14P.CN.Co/c1-30-21-40-41(22-31(30)2)76(29-71-40)58-53(85)54(42(28-77)88-58)90-91(86,87)89-32(3)27-70-50(84)19-20-60(8)38(23-46(66)80)57-63(11)62(10,26-48(68)82)37(15-18-49(83)69-12)52(75-63)34(5)56-61(9,25-47(67)81)35(13-16-44(64)78)39(72-56)24-43-59(6,7)36(14-17-45(65)79)51(73-43)33(4)55(60)74-57;1-2;/h21-22,24,29,32,35-38,42,53-54,57-58,77,85H,13-20,23,25-28H2,1-12H3,(H14,64,65,66,67,68,69,70,72,73,74,75,78,79,80,81,82,83,84,86,87);;/q;-1;+3/p-2
InChI key:InChIKey=KEKWPVDMQRYDLY-UHFFFAOYSA-L
SMILES:[C-](#N)[Co+3]1234[N]=5C6(C)C7[N-]1C(C(C)(C7CC(N)=O)CCC(=O)NCC(C)OP(=O)([O-])OC8C(O)C(N9C=[N]2C=%10C9=CC(C)=C(C)C%10)OC8CO)=C(C)C%11=[N]3C(=CC%12=[N]4C(=C(C)C5C(CCC(NC)=O)C6(CC(N)=O)C)C(CC(N)=O)(C)C%12CCC(N)=O)C(C)(C)C%11CCC(N)=O
Synonyms:
  • Cobinamide, Nb-methyl-, cyanide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
  • Cobinamide, Co-(cyano-κC)-Nb-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)
  • 34-Methyl Cyanocobalamin (Impurity-G)
  • 34-Methylcyanocobalamin Q: What is the CAS Number of
  • 34-Methylcyanocobalamin
  • Cyanocobalamin Impurity 10(34-Methylcyanocobalamin)
  • 34-Methylcyanocobalamin Q: What are the applications of
  • 34-MethylcyanocobalaminI
  • Cyanocobalamin Impurity 10
  • Cyanocobalamin Impurity G
  • See more synonyms
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