Calcifediol monohydrate

Basic Information

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CAS Number

63283-36-3

Molecular Formula

C27H46O3

Molecular Weight

418.66 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Solubility

N/A

SMILES

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O.C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C

InChI

InChI=1S/C27H44O2.H2O/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29;/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3;1H2/b21-11+,22-12-;/t20-,23+,24-,25+,27-;/m1./s1

InChIKey

WRLFSJXJGJBFJQ-WPUCQFJDSA-N

LogP

5.909200000000007

Topological Polar Surface Area

71.96000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 3

Complexity

655

Safety Information

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Hazard Statement

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

2-8℃

Synonyms & References

English

CALCIDIOL
CALCIFEDIOL MONOHYDRATE
25-OH-D3
25-HYDROXYVITAMIN D3
25-hydroxyvitamin d3 monohydrate
25-hydroxycholecalciferol monohydrate
(5z,7e)-9,10-secocholesta-5,7,10(19)-triene-3b,25-diol monohydrate
CALCIFEDIOL 1-HYDRATE
9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate, (3.beta.,5Z,7E)-
25-Hydroxycholecalciferol
calcifediol
Vitamin D3, 25-Hydroxy-
25-Hydroxy-vitamin D3 monohydrate
(3beta,5Z,7E)-9,10-secocholestan-5,7,10(19)-triene-3,25-diol
25-OH-Vitamin D3
(S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol
(1S)-3-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-h
(1S)-3-[2-[(1R,3As,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-i
Calcifediol monohydrate

MDL Number

MFCD08600001

FAQ

What is Calcifediol monohydrate (CAS: 63283-36-3)?

Calcifediol monohydrate (CAS: 63283-36-3) is a vitamin D metabolite used in medical and research settings. It has the chemical formula C27H44O3 and is a white to off-white crystalline solid with high solubility in organic solvents. This compound is known for its role in calcium metabolism and bone health, and it is often used as a precursor in the synthesis of other vitamin D derivatives.

What are the main uses of Calcifediol monohydrate (CAS: 63283-36-3)?

Calcifediol monohydrate (CAS: 63283-36-3) is primarily used in pharmaceuticals for the treatment of vitamin D deficiency and related conditions. It also serves as a research reagent in biochemical studies and is employed in the production of other vitamin D compounds. Additionally, it may be used in nutraceuticals and dietary supplements to support bone health and metabolic functions.

Is Calcifediol monohydrate (CAS: 63283-36-3) safe?

Calcifediol monohydrate (CAS: 63283-36-3) is generally considered safe when used as directed in medical or research contexts. However, it should be handled with care, as excessive intake can lead to hypercalcemia. Safety standards require proper storage and use of protective equipment during handling to minimize risks. Always follow guidelines from regulatory bodies and product labels.

How should Calcifediol monohydrate (CAS: 63283-36-3) be stored?

Calcifediol monohydrate (CAS: 63283-36-3) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a tightly sealed container at a temperature below 25°C and with low humidity. Avoid exposure to light and air to prevent degradation, and ensure storage conditions meet safety and quality standards for chemical handling.