Calcifediol

Base Information

• Chemical Name: Calcifediol
• CAS No.: 64719-49-9
• Deprecated CAS: 25631-40-7,1384584-62-6,1384584-62-6
• Molecular Formula: C27H44O2
• Molecular Weight: 400.63706
• European Community (EC) Number: 252-891-2,242-990-9
• UNII: T0WXW8F54E
• DSSTox Substance ID: DTXSID0022721
• Nikkaji Number: J9.697K,J319.574K
• Wikipedia: Calcifediol
• Wikidata: Q139307
• NCI Thesaurus Code: C77155
• RXCUI: 1855064
• Pharos Ligand ID: J8GAN3BTLYGV
• Metabolomics Workbench ID: 35795
• ChEMBL ID: CHEMBL1040
• Mol file: 64719-49-9.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 Calcifediol

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 400.334130642
• Heavy Atom Count: 29
• Complexity: 655

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
• 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
• 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.