Calcifediol

CAT: 1568-C07823-01Size: 5 mgDry Ice: YesHazardous: No

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CAT#:1568-C07823-01Size:5 mg

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CAS Number

19356-17-3

Synonyms

Calcidiol, Didrogyl, Hidroferol, 25-hydroxyvitamin D3, 25-Hydroxycholecalciferol

SKU

C07823-5mg

Target

Vitamin

Applications

Metabolism

Smiles

CC (CCCC (C) (C) O) C1CCC2C1 (CCCC2=CC=C3CC (CCC3=C) O) C

Molecular Formula

C27H44O2

Additionnal Information

Calcifediol (Calcidiol, Didrogyl, Hidroferol, 25-hydroxyvitamin D3, 25-Hydroxycholecalciferol) is a major circulating metabolite of vitamin D3 and acts as a competitive inhibitor with an apparent Ki of 3.9 μM. It also suppresses PTH secretion and mRNA (ED50=2 nM) .

Storage Conditions

2 years -80 in solvent

Chemical Information

25-Hydroxyvitamin D3

Calcidiol is a hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3. It has a role as a metabolite, a bone density conservation agent, a nutraceutical, a mouse metabolite and a human metabolite. It is a diol, a hydroxycalciol and a member of D3 vitamins.

CAS Number	19356-17-3
PubChem CID	5283731
IUPAC Name	(1S,3Z)-3-[(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-methylidenecyclohexan-1-ol
Molecular Formula	C27H44O2
Molecular Weight	400.6
XLogP	6.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	655

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

InChI

InChI=1S/C27H44O2/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/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

InChIKey

JWUBBDSIWDLEOM-DTOXIADCSA-N

Chemical Structure

2D Structure

CAS: 19356-17-3

CID: 5283731

Formula: C27H44O2

MW: 400.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	400.6
XLogP3	6.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	400.334130642
Monoisotopic Mass	400.334130642
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	655
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B2140-25	Calcifediol

Calcifediol

Chemical Information

Alternative Products

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