CAS 59461-30-2

Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3), hydrochloride (1:1)

Description:

Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3), hydrochloride (1:1), is a complex chemical compound primarily associated with vitamin B12 metabolism. It features a cobalt ion coordinated to a cobinamide structure, which is a derivative of cobalamin, and includes a phosphate group that enhances its solubility and bioavailability. The presence of the 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole moiety indicates its potential role in biological systems, particularly in nucleic acid metabolism and cellular energy processes. As a hydrochloride salt, it is typically more stable and soluble in aqueous solutions, making it suitable for various pharmaceutical applications. The compound's inner salt formation suggests a unique structural arrangement that may influence its reactivity and interaction with biological targets. Overall, cobinamide derivatives are of interest in biochemistry and medicinal chemistry due to their roles in enzymatic reactions and potential therapeutic applications.

Formula: C₆₂H₈₉CoN₁₃O₁₅P·ClH

InChI: InChI=1S/C62H90N13O14P.ClH.Co.H2O/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;;;/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);1H;;1H2/q;;+3;/p-3

InChI key: InChIKey=KEHNCSYXYMMUCO-UHFFFAOYSA-K

SMILES: [OH-][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(N)=O)C6(CC(N)=O)C)C(CC(N)=O)(C)C%12CCC(N)=O)C(C)(C)C%11CCC(N)=O.Cl

Synonyms:

• Cobinamide, dihydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole, monohydrochloride
• Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3), hydrochloride (1:1)
• Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3), monohydrochloride

Hydroxocobalamin Chloride

CAS: 59461-30-2

Vitamin b12 (cyanocobalamin and related compounds with vitamin b12 activity) and its derivatives

Formula: C₆₂H₈₉CoN₁₃O₁₅P·HCl

Color and Shape: Red Brown Crystalline Powder

Molecular weight: 1381.54374

Ref: 45-1324319

Hydroxocobalamin chloride

CAS: 59461-30-2

Hydroxocobalamin chloride is a molecule that contains hydrochloric acid. It is used as a sample preparation reagent in the analysis of fatty acids, and as a chemical intermediate in the synthesis of magnesium salt. Hydroxocobalamin chloride reacts with an organic acid to form an ester or amide. The reaction mechanism for this process involves a nucleophilic attack by the hydroxyl group on the carbonyl carbon atom of the organic acid, followed by displacement of HCl from water. In analytical chemistry, Hydroxocobalamin chloride is used to determine the concentration of dehydroascorbic acid in a sample, which can be indicative of skin condition or dietary supplement intake. This compound also serves as an analytical method for measuring fatty acids and their derivatives (e.g., methyl esters). Symptoms associated with exposure to this compound include skin conditions such as dermatitis and eczema, together with symptoms such as fatigue and irritability that are related to high levels

Formula: C₆₂H₈₉CoN₁₃O₁₅P•HCl

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 1,382.82 g/mol

Ref: 3D-JCA46130

hydroxocobalamin monohydrochloride

CAS: 59461-30-2

Formula: C₆₂H₉₀ClCoN₁₃O₁₅P

Purity: 98%

Molecular weight: 1382.8160609999993

Ref: IN-DA00ELGF