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Calcifediol (monohydrate)

CAT: 0804-HY-32351A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-32351A-01Size:5 mg
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Description
Calcifediol monohydrate (25-hydroxy Vitamin D3 monohydrate), is an effective VDR ligand and VD supplement. Calcifediol is a prohormone of the vitamin D endocrine system (VDES) and is hydroxylated in the liver to produce the active form, calcitriol. Calcifediol can rapidly increase serum VD levels[1][2][3].
CAS Number
63283-36-3
Product Name Alternative
25-hydroxy Vitamin D3 (monohydrate)
UNSPSC
12352211
Hazard Statement
H300+H310+H330, H372
Target
Endogenous Metabolite; VD/VDR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Metabolic Disease
Purity
99.98
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
C=C(CC1)/C(C[C@H]1O)=C\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC3.O
Molecular Formula
C27H46O3
Molecular Weight
418.65
Precautions
H300+H310+H330, H372
References & Citations
[1]Castoldi A, et al. Calcifediol-loaded liposomes for local treatment of pulmonary bacterial infections. Eur J Pharm Biopharm. 2016 Nov 22.|[2]Wei Zheng, et al. Vitamin D-induced vitamin D receptor expression induces tamoxifen sensitivity in MCF-7 stem cells via suppression of Wnt/β-catenin signaling. Biosci Rep. 2018 Dec 7;38 (6) :BSR20180595.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
Human Endogenous Metabolite
Citation 01
Sci Rep. 2022 Feb 22;12 (1) :3014.|Front Pharmacol. 2020 Mar 31;11:200.|Int Immunopharmacol. 2023 Sep:122:110558.|Int J Mol Sci. 2017 Dec 19;18 (12) . pii: E2764.|Int J Mol Sci. 2025 Mar 25;26 (7) :2985.|J Sep Sci. 2025 Apr;48 (4) :e70130.|Nat Chem Biol. 2022 Nov;18 (11) :1196-1203.|Proc Natl Acad Sci U S A. 2022 Apr 12;119 (15) :e2117004119.|Ther Adv Endocrinol Metab. 2020 Oct 20:11:2042018820958295.|Virol Sin. 2024 Aug 19:S1995-820X (24) 00134-2.

Chemical Information

Calcifediol (USAN:USP:INN:BAN)

Calcifediol monohydrate is a vitamin D.

CAS Number63283-36-3
PubChem CID6441383
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;hydrate
Molecular FormulaC27H46O3
Molecular Weight418.7
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity655
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.O
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
Chemical Structure
2D Structure
2D structure of Calcifediol (USAN:USP:INN:BAN)
CAS: 63283-36-3
CID: 6441383
Formula: C27H46O3
MW: 418.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass418.34469533
Monoisotopic Mass418.34469533
Topological Polar Surface Area41.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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