1324319

Hydroxocobalamin chloride

United States Pharmacopeia (USP) Reference Standard

• Synonym(s): Vitamin B_12a hydrochloride, Hydroxocobalamin hydrochloride
• Empirical Formula (Hill Notation): C₆₂H₈₉CoN₁₃O₁₅P · HCl
• CAS Number: 59461-30-2
• Molecular Weight: 1382.82
• MDL number: MFCD00167463
• UNSPSC Code: 41116107
• PubChem Substance ID: 329750113
• NACRES: NA.24

Properties

• grade: pharmaceutical primary standard
• API family: hydroxocobalamin
• manufacturer/tradename: USP
• application(s): pharmaceutical (small molecule)
• format: neat
• storage temp.: −20°C
• SMILES string: Cl.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N([Co+]O)C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78
• 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/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1
• InChI key: KEHNCSYXYMMUCO-BXSGNKEGSA-K

Description

General description

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including MSDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.
For further information and support please go to the website of the issuing Pharmacopoeia.

Application

• Hydroxocobalamin chloride in photochemistry studies: Research conducted on the photochemical properties of cob(III)alamins, including Hydroxocobalamin chloride, explores their energy cascades and excited state dynamics. This study highlights the application of Hydroxocobalamin as a model compound in understanding the photochemical behavior of vitamin B12 analogs, which is crucial for developing new therapeutic strategies and enhancing our understanding of cobalamin-dependent enzymatic reactions (Rury et al., 2015).

Analysis Note

These products are for test and assay use only. They are not meant for administration to humans or animals and cannot be used to diagnose, treat, or cure diseases of any kind.  ​

Other Notes

Sales restrictions may apply.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable