Hydroxocobalamin acetate

Basic Information

View in Editor

CAS Number

22465-48-1

Molecular Formula

C64H92CoN13O16P-2

Molecular Weight

1389.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>3000C.

SMILES

View in Editor

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)O.[Co]

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);/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

InChIKey

JEINOAHBVLNVDD-WYVZQNDMSA-L

LogP

3.403740000000009

Topological Polar Surface Area

502.22 Å²

Hydrogen Bond Donor/Acceptor

16 / 29

Complexity

3260

Safety Information

View Safety Information

GHS Hazard Pictograms

H351

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

Synonyms & References

English

22465-48-1
Hydroxocobalamin (acetate)
MFCD00082532
Hydroxocobalamin acetate, United States Pharmacopeia (USP) Reference Standard
Hydroxocobalamin acetate
Vitamin B12a acetate
DSSTox_CID_26901
DSSTox_RID_82000
DSSTox_GSID_46901
Tox21_112786
Acetic acid;cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxola
Acetic acid;cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
Vitamin B12a Acetate
Coa-[a-(5,6-dimethylbenzimidazolyl)]-Coß-hydroxocobamide acetate

MDL Number

MFCD00082532

FAQ

What are the physical and chemical properties of Hydroxocobalamin acetate (CAS: 22465-48-1)?

Hydroxocobalamin acetate is a crystalline compound with a molecular weight of approximately 533.47 g/mol. It is poorly soluble in water but soluble in ethanol. Chemically, it is known for its high reactivity, particularly in reducing agents and in the presence of certain metal ions.

How is Hydroxocobalamin acetate (CAS: 22465-48-1) typically synthesized?

Hydroxocobalamin acetate is synthesized by acetylating hydroxocobalamin in the presence of an appropriate base. Common methods include a multi-step process involving acetic anhydride and sodium hydroxide, leading to a high yield of the desired product with good selectivity.

What industries use Hydroxocobalamin acetate (CAS: 22465-48-1)?

Hydroxocobalamin acetate is primarily used in the pharmaceutical industry for its role as a form of vitamin B12 in dietary supplements and injections. It is also used in the food industry as a nutritional additive.

What precautions should be taken when handling Hydroxocobalamin acetate (CAS: 22465-48-1)?

When handling Hydroxocobalamin acetate, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or with a fume hood, and spills should be handled according to the Safety Data Sheet (SDS).