Calderol

Base Information

• Chemical Name: Calderol
• CAS No.: 63283-36-3
• Molecular Formula: C27H44O2 .H2O
• Molecular Weight: 418.65
• Hs Code.: 29362900
• European Community (EC) Number: 242-990-9,621-370-5
• UNII: P6YZ13C99Q
• Wikipedia: Calcifediol
• Wikidata: Q27286305
• NCI Thesaurus Code: C65278
• RXCUI: 1889
• ChEMBL ID: CHEMBL3544909
• Mol file: 63283-36-3.mol

Synonyms:25 Hydroxycholecalciferol;25 Hydroxycholecalciferol Monohydrate;25 Hydroxyvitamin D 3;25 Hydroxyvitamin D3;25-Hydroxycholecalciferol;25-Hydroxycholecalciferol Monohydrate;25-Hydroxyvitamin D 3;25-Hydroxyvitamin D3;Anhydrous, Calcifediol;Calcidiol;Calcifediol;Calcifediol Anhydrous;Calcifediol, (3 alpha,5Z,7E)-Isomer;Calcifediol, (3 beta,5E,7E)-Isomer;Calderol;Dedrogyl;Hidroferol;Monohydrate, 25-Hydroxycholecalciferol

Chemical Property of Calderol

Chemical Property:

• Appearance/Colour: brownish, fine powder
• Vapor Pressure: 2.07E-13mmHg at 25°C
• Boiling Point: 529.2 °C at 760 mmHg
• Flash Point: 221.4 °C
• PSA: 49.69000
• LogP: 6.66960
• Storage Temp.: −20°C
• Solubility.: Practically insoluble in water, freely soluble in ethanol (96 per cent), soluble in fatty oils.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 418.34469533
• Heavy Atom Count: 30
• Complexity: 655

Purity/Quality:

99% ^*data from raw suppliers

25-Hydroxyvitamin D3 Monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 28-48/25-26-24/25
• Safety Statements: 28-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C.O
• Isomeric 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
• Recent ClinicalTrials: Vitamin D Supplementation on in Major Orthopedic Surgery
• Recent EU Clinical Trials: Multicenter, double-blind, randomized clinical trial to evaluate the efficacy of calcifediol soft capsules versus placebo in reducing hospital admissions in patients with a positive diagnostic test for SARS-CoV-2.
• Uses: Calcifediol is a major circulating metabolite of vitamin D3 and acts as a competitive inhibitor with an apparent Ki of 3.9 μM. It is produced in the liver and is the best indicator of the body’s vitamin D stores. It is effective in the treatment of ricket 25-Hydroxyvitamin D3 may be used as a certified reference material (CRM) for the determination of the analyte in biological samples by chromatography techniques.