Calcitriol Impurities A

Basic Information

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CAS Number

73837-24-8

Molecular Formula

C27H44O3

Molecular Weight

416.65 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Boiling Point

621.928°C at 760 mmHg

SMILES

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CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

InChI

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24+,25+,27+/m1/s1

InChIKey

GMRQFYUYWCNGIN-HIAKONGOSA-N

LogP

5.704700000000006

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

688

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BIDD:GT0500
73837-24-8
(5E,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
DTXCID002722
AKOS040744195
5,6-TRANS-1.ALPHA.,25-DIHYDROXYVITAMIN D3
(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
NCGC00179229-01
SCHEMBL21055106
5,6-trans-1alpha,25-Dihydroxyvitamin D3
NCGC00161327-04
trans-Calcitriol
1,25-Dihydroxy-5,6-trans-vitamin D3
LMST03020265
Calcitriol impurity A [EP]
Tox21_111988
Q27280249
(5E)-1alpha,25-dihydroxyvitamin D3 / (5E)-1alpha,25-dihydroxycholecalciferol
(5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol
5,6-trans Calcitriol
Calcitriol specified impurity A [EP]
Calcitriol Impurities A
1.ALPHA.,25-DIHYDROXY-5,6-TRANS-VITAMIN D3
1,25-Dihydroxyvitamin D3
1,3-Cyclohexanediol, 4-methylene-5-((2E)-2-((1R,3aS,7aS)-octahydro-1-((1R)-5-hydroxy-1,5-dimethylhexyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3S,5E)-
CAS-32222-06-3
9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, (1.ALPHA.,3.BETA.,5E,7E)-
1alpha,25-Dihydroxy-5,6-trans-vitamin D3
(1R,3S,E)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
I1L29CLX3C
CalcitriolImpuritiesA

MDL Number

MFCD01076572

FAQ

What are the physical and chemical properties of Calcitriol Impurities A (CAS: 73837-24-8)?

Calcitriol Impurities A (CAS: 73837-24-8) is a solid, crystalline compound with a molecular weight of approximately 306.4 g/mol. It has limited solubility in water but is highly soluble in organic solvents like ethanol and methanol. Chemically, it is relatively stable under normal conditions but may react with strong bases or oxidizing agents. It is insoluble in most polar solvents and exhibits low reactivity under standard laboratory conditions.

How is Calcitriol Impurities A (CAS: 73837-24-8) typically synthesized?

Calcitriol Impurities A (CAS: 73837-24-8) is synthesized through chemical derivatization of vitamin D3. Common methods include acetylation or methylation reactions using acetic anhydride or methyl iodide as reagents. The reaction is typically catalyzed by an acid under mild conditions. High selectivity and yields are achieved, making this method suitable for large-scale production.

What industries use Calcitriol Impurities A (CAS: 73837-24-8)?

Calcitriol Impurities A (CAS: 73837-24-8) is primarily used in the pharmaceutical industry, particularly in the production of calcitriol, a form of vitamin D3 that is effective in treating and preventing hypocalcemia and osteoporosis. It is also utilized in research and development for its biological activities and in some cosmetic formulations for skin health.

What precautions should be taken when handling Calcitriol Impurities A (CAS: 73837-24-8)?

When handling Calcitriol Impurities A (CAS: 73837-24-8), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Store it in a cool, dry place away from direct sunlight and flammable materials. Handle it in a well-ventilated area or fume hood to minimize inhalation risks. In case of spill, immediately clean up using appropriate procedures and consult the Safety Data Sheet (SDS) for detailed instructions.