ABC00432IS

32-Carboxycyanocobalamin (Crude)

32-Carboxycyanocobalamin (Crude) is a cyanocobalamin derivative featuring a carboxylic acid substituent at the 32-position of the corrin macrocycle. This structural modification introduces an additional -COOH group adjacent to the cobalt-coordinated cyanide moiety, altering the electrostatic and steric properties relative to the parent vitamin B12 analog. The compound retains the characteristic corrin ring, 5,6-dimethylbenzimidazole nucleotide loop, and cobalt(III) coordination sphere, but the 32-carboxylic acid introduces a secondary ionization site, impacting solubility and chromatographic behavior. Synthetically, it arises as a side product during cyanocobalamin synthesis via nucleophilic substitution pathways. This impurity serves as an HPLC reference standard for quantifying process-related deviations in cyanocobalamin active pharmaceutical ingredient (API) batches.

On Request
Molecular Formula C63H87CoN13O15P
Molecular Weight 1356.3000
CAS Number 38218-77-8 โœ“ Verified
Purity N/A
Product Type API Impurity
Parent Drug Cyanocobalamin
Lead Time On Request
IUPAC Name cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12-bis(3-amino-3-oxopropyl)-17-(2-carboxyethyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;cyanide

๐Ÿ“ Synonyms

Cyancobalamin-b-carboxylic Acid 38218-77-8 cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12-bis(3-amino-3-oxopropyl)-17-(2-carboxyethyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;cyanide

๐Ÿ”ฌ Chemical Identifiers

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)O)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
InChI=1S/C62H89N12O15P.CN.Co/c1-29-20-39-40(21-30(29)2)74(28-69-39)57-52(84)53(41(27-75)87-57)89-90(85,86)88-31(3)26-68-48(81)18-19-59(8)37(22-45(65)78)56-62(11)61(10,25-47(67)80)36(14-17-49(82)83)51(73-62)33(5)55-60(9,24-46(66)79)34(12-15-43(63)76)38(70-55)23-42-58(6,7)35(13-16-44(64)77)50(71-42)32(4)54(59)72-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,75,84H,12-19,22,24-27H2,1-11H3,(H14,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2
CGXULFRVUMZMFQ-UHFFFAOYSA-L

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