CAS 160158-29-2

Cobinamide, Co-(cyano-κC)-e-deamino-e-[(2,5-dioxo-1-pyrrolidinyl)oxy]-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)

Description:

Cobinamide, with the CAS number 160158-29-2, is a complex chemical compound characterized by its unique structure that includes a cobalt ion coordinated with various ligands. It is a derivative of cobinamide, which is a form of vitamin B12, and features a cyano group and a pyrrolidinyl moiety, contributing to its biological activity. The presence of a dihydrogen phosphate ester indicates that it can participate in biochemical reactions involving phosphate groups, which are crucial for energy transfer and signaling in biological systems. Additionally, the compound contains a ribofuranosyl-benzimidazole moiety, suggesting potential interactions with nucleic acids or enzymes. Cobinamide is typically studied for its role in cellular metabolism and its potential therapeutic applications, particularly in conditions related to vitamin B12 deficiency. Its solubility and stability can vary depending on the pH and ionic strength of the environment, which are important factors for its biological efficacy. Overall, cobinamide represents a significant compound in the realm of biochemistry and pharmacology.

Formula: C₆₇H₉₀CoN₁₄O₁₇P

InChI: InChI=1S/C66H92N13O17P.CN.Co/c1-31-22-41-42(23-32(31)2)78(30-73-41)61-56(90)57(43(29-80)93-61)96-97(91,92)95-33(3)28-72-50(86)20-21-63(8)39(24-47(69)83)60-66(11)65(10,27-49(71)85)38(13-16-46(68)82)55(77-66)35(5)59-64(9,26-48(70)84)36(12-15-45(67)81)40(74-59)25-44-62(6,7)37(54(75-44)34(4)58(63)76-60)14-19-53(89)94-79-51(87)17-18-52(79)88;1-2;/h22-23,25,30,33,36-39,43,56-57,60-61,80,90H,12-21,24,26-29H2,1-11H3,(H13,67,68,69,70,71,72,74,75,76,77,81,82,83,84,85,86,91,92);;/q;-1;+3/p-2

InChI key: InChIKey=NSMACQKGVUWJJX-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(N)=O)C6(CC(N)=O)C)C(CC(N)=O)(C)C%12CCC(N)=O)C(C)(C)C%11CCC(ON%13C(=O)CCC%13=O)=O

Synonyms:

• Cobinamide, e-deamino-e-[(2,5-dioxo-1-pyrrolidinyl)oxy]-, cyanide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
• Cobinamide, Co-(cyano-κC)-e-deamino-e-[(2,5-dioxo-1-pyrrolidinyl)oxy]-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)

Vitamin B12 e-NHS Ester

Controlled Product

CAS: 160158-29-2

Formula: C₆₇H₉₀CoN₁₄O₁₇P

Color and Shape: Neat

Molecular weight: 1453.42

Ref: TR-V675665

Vitamin B12 e-NHS Ester

CAS: 160158-29-2

Formula: C₆₇H₉₀CoN₁₄O₁₇P

Molecular weight: 1453.4

Ref: ST-EA-CP-C132014