CAS 22465-48-1: Acetatocobalamin
Description:Acetatocobalamin, also known as vitamin B12 acetate, is a derivative of cobalamin, which is essential for various biological functions in the human body. It is characterized by its cobalt-containing corrin ring structure, which is central to its activity as a cofactor in enzymatic reactions, particularly in DNA synthesis and red blood cell formation. Acetatocobalamin is typically a red crystalline powder, reflecting the characteristic color of vitamin B12 compounds. It is soluble in water and exhibits stability under normal conditions, although it can be sensitive to light and heat. This compound plays a crucial role in the metabolism of fatty acids and amino acids, and its deficiency can lead to serious health issues, including anemia and neurological disorders. Acetatocobalamin is often used in dietary supplements and fortified foods to prevent or treat vitamin B12 deficiency. Its bioavailability and effectiveness in the body make it an important compound in nutritional science and medicine.
Formula:C64H91CoN13O16P
InChI:InChI=1S/C62H90N13O14P.C2H4O2.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(3)4;/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,(H,3,4);/q;;+3/p-3
InChI key:InChIKey=KPFAAKYTRSSOQN-UHFFFAOYSA-K
SMILES:O=C([O-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)N)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)N)C)C)C7O)C
- Synonyms:
- Acetatocobalamin
- Co(Acetato-kappaO)cobinamide dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
- Cobalamin, acetato-
- Cobalamin, acetato- (6CI)
- Cobinamide, Co(acetato-kappaO)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
- Cobinamide, Co-(acetato-κO)-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosyl-1H-benzimidazole-κN<sup>3</sup>)
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosyl-1H-benzimidazole
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosylbenzimidazole
- Cobinamide, acetate phosphate, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosylbenzimidazole, inner salt
- See more synonyms
- Depo-gamma
- Fresmin S
- Hydroxocobalamine acetate
- Hydroxycobalamine acetate
- Novidroxin
- Twelvmin
- Unii-S535M27N3Q
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole
- Cobinamide, acetate phosphate, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole, inner salt
- Cobinamide, Co-(acetato-κO)-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)
