calcifediol Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

400.65

ALogP

6.73

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C
  • InChIKey: JWUBBDSIWDLEOM-DTOXIADCSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1040   ChEMBL
calcifediol *

CHEMBL3544909   ChEMBL
calcifediol

T0WXW8F54E   NCATS
calcifediol anhydrous *

Calcifediol   Wikipedia

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