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32222-06-3

32222-06-3 structural image
Product Name: Calcitriol
Formula: C27H44O3
Synonyms: Calcitriol;(1α,3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol monohydrate;1α,25-Dihydroxycholecalciferol;1α,25-Dihydroxycholecalciferol monohydrate;1α,25-Dihydroxyvitamin D3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [Merck Index]
Color/Form Colorless, crystalline solid
Melting Point 113-114
Solubility Insoluble
LogP 5
Stability/Shelf Life Calcitriol will degrade during prolonged exposure to light.
Optical Rotation Specific optical rotation = +48 deg at 22 °C/D (methanol)
Other Experimental Properties Air and light sensitive
Chemical Classes Biological Agents -> Vitamins and Derivatives

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H372:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P262:Do not get in eyes, on skin, or on clothing.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 416.6 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 416.32904526 g/mol
Monoisotopic Mass 416.32904526 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 688
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Calcitriol is a hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. It has a role as a bone density conservation agent, an antipsoriatic, an immunomodulator, an antineoplastic agent, a calcium channel modulator, a nutraceutical, a calcium channel agonist, a metabolite, a hormone, a human metabolite and a mouse metabolite. It is a hydroxycalciol, a member of D3 vitamins and a triol.

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Horster Biotek Pvt Ltd

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EAGLE CHEMICAL WORKS

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BDR Pharmaceuticals International Pvt Ltd

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Century Pharmaceuticals Ltd

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