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41294-56-8

41294-56-8 structural image
Product Name: Alfacalcidol
Formula: C27H44O2
Synonyms: 1α-Hydroxycholecalciferol;1α-Hydroxyvitamin D3;1α-OH-D₃;Alfacalcidol;Vitamin D₃, 1α-Hydroxy- - CAS 41294-56-8 - Calbiochem
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 136 °C
Solubility <1 mg/mL

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 400.6 g/mol
XLogP3 6.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 400.334130642 g/mol
Monoisotopic Mass 400.334130642 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 643
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

Alfacalcidol is a member of the class of D3 vitamins that is calciol in which the hydrogen at the 1alpha position is replaced by a hydroxy group. It is an active metabolite of cholecalciferol, which performs important functions in regulation of the calcium balance and the bone metabolism. It has a role as a bone density conservation agent. It is a member of D3 vitamins, a seco-cholestane, a hydroxycalciol and a diol. It is functionally related to a calciol.

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